Design and performance analysis of n-MoS 2 /p-Si heterojunction solar cell for emerging optoelectronic applications

Design and performance analysis of n-MoS 2 /p-Si heterojunction solar cell for emerging optoelectronic applications | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Research Article Design and performance analysis of n-MoS 2 /p-Si heterojunction solar cell for emerging optoelectronic applications Ritishri Priyaranjan Pradhan, Sheo Kumar Mishra, Monoj Kumar Singha, and 1 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-5909500/v1 This work is licensed under a CC BY 4.0 License Status: Posted Version 1 posted You are reading this latest preprint version Abstract Sustainable, green, clean energy sources based electrical energy conversion is essential to the modern world. A solar cell or photovoltaic cell acts as a major part of that to accomplish the energy interest. Two-dimensional materials such as Molybdenum disulphide (MoS 2 ) based heterojunction solar cells attracted researchers for their extraordinary chemical, physical, thermal, mechanical, optical, and electrical stability. In this work, we simulated the electrical behavior of n-MoS 2 /p-Si-based heterojunction-based solar cells with the help of the Solar Cell Capacitance Simulator - One Dimensional (SCAPS-1D) simulation tool. We examine the performance of MoS 2 -based solar cells by varying the active layer’s thickness, which leads to the changing of the band gap variation in the electron affinity, and explore the performance of devices with different metal contacts. The impact of interfacial defect density, series, and shunt resistance is also evaluated on various working temperatures of the devices. The best combinations of different parameters give an efficiency (η) of 12%, which is sufficiently high enough compared to the previously published experimental work. This will provide essential insight into the development of high-performance solar cells with two dimensional (2D) materials. Solar Cell SCAPS-1D Optoelectronic MoS2 Defect and Efficiency Figures Figure 1 Figure 2 Figure 3 Figure 4 Figure 5 Figure 6 Figure 7 Figure 8 1. Introduction Currently, power consumption worldwide is witnessing a growing trend year by year. Most of the power consumption needs is getting fulfilled by burning fossil fuel which creates carbon emission, results in global warming and pollution. Moreover, day by day the fossil fuel is also getting exhausted (Pastuszak and Węgierek 2022; Ullah et al. 2025). Therefore, scientific communities and researchers are trying to develop carbon free, clean, and green natural energy sources. Solar cells or photovoltaic cells is the one of optoelectronic devices that provides the clean and green energy, generates electricity directly from the sunlight (Prakash et al. 2024; Valeti et al. 2023a). A number of authors have investigated the development and production of clean and green energy with the help of different generations of solar and photovoltaic energy sources using various materials and techniques. The first generation solar cell was developed using Sillicon (Si), while second generation was based on layers of thin films of various materials (Prakash et al. 2024). Currently, research on solar cells in 3rd generation is based on numerous materials such as perovskite, organic materials, and 2D materials (Aman Nowsherwan et al. 2021). Among these materials, 2D-based materials such as graphene and transition metal dichalcogenides (TMDs) are in demand for future solar photovoltaic techniques and have potential in solar cell fabrication because of their distinctive properties such as high electron mobility that leads efficient energy conversation, tunable electronic structure and can reduce thickness of active absorber which makes thinner, light-weight and flexible solar cells. 2D materials are the most appropriate candidates for interface and work-function engineering that optimizes the structure of solar cells as well as principle contact layer materials (Danladi et al. 2023; Pradhan et al. 2016a). Among the 2D materials, TMDs such as MoS 2 , WS 2 , MoSe 2, and WSe 2 based materials have chemical composition of MX 2 where M and X represent transition metal and chalcogen metals (Te, Se, S), respectively. These TMDs based materials have very much potential in solar cell application due to their low production cost, high chemical, and thermal stability, mechanical flexibility (Thomas et al. 2021; Yazyev and Kis 2015; Zhao et al. 2023). It shows high electrical and optical properties with respect to graphene making superior heterojunctions with Si together with charge traps in the interface of bonding and strong electron hole confinement (Deng et al. 2017a; Pradhan et al. 2016a). Over the homo-junction based solar cell, in heterojuction based solar cell have leverage to combining materials with corresponding several material properties as a consequential in higher effeiciency, enhanced temperature performance with reducing combination losses and making as superior choice for solar cell application. TMDs materials are the prominent candidate for advanced photoelectronic devices such as light-matter interaction, photodetectors, gas sensors, storage applications, photovoltaic cells or solar cells, tremendous absorption capability in visible range, thin film transistors, integrated circuits (IC), and tera-hartz application (Ermolaev et al. 2020; Rasamani et al. 2017; Zhao and Ouyang 2019; Zhu et al. 2016). MoS 2 shows trigonal, rhombohedral, octahedral, and hexagonal phases in bulk materials, whereas hexagonal forms only in monolayer and shows metallic and semiconductor behaviour. Covalent bond is formed between Mo-S, whereas another S layer is bonded with Van der-waal interaction which makes the layer of stacks. In the Monolayer MoS 2 thin film Mo(+ 4) with S(-2) present in S-Mo-S alignment having thickness almost 1 nm. The formation of monolayered MoS 2 is due to breaking of weak van der waal force and bulk TMDs are formed by arrays of X-M-X films with phase-dependent structure (Applications 2021; Le et al. 2021; Liu et al. 2018; Vancsó et al. 2016). Generally, the electron and hole conductivity of MoS 2 is due to defects as well as doping of different elements such as copper, scandium, and chromium form n-type whereas zinc, nickel, titanium form p-type MoS 2 . Light absorption in MoS 2 is larger than Si and GaAs based materials that lies in the range of 350 nm to 950 nm, i.e. visible to near-IR region, and make it a suitable metal for photonic applications. Thickness is also an important parameter for solar cells. Thickness variations of MoS 2 at the nanoscale vary as a function of bandgap from 1.9 eV for mono-layer (direct band-gap) to 1.29 eV for bulk material (indirect band-gap). MoS 2, having 1 nm thickness with a direct band-gap of 1.9 eV shows more absorbing properties (Dhyani and Das 2017a; Huang et al. 2022; Le et al. 2021; Mak et al. 2010; Singh and Singh 2019; Srivastava et al. 2022). Pradhan et al . have fabricated MoS 2 -Si heterojunction based solar cells using pulsed laser deposition (PLD) method in which n-type MoS 2 film was deposited on p-type Si substrate. The fabricated heterostructure film was annealed at 400 0 C to reduce the interface defects and obtained 4.5% efficiency for the optimized device (Pradhan et al. 2016a). Meng Tsai et al. have fabricated MoS 2 with p-Si heterojunction based photovoltaic devices using chemical vapour deposition (CVD) method and reported maximum efficiency of 5.23% obtained in TMDs based solar cells (Alali 2024). Das et al. have fabricated MoS 2 /Si based heterojunction using CVD method in which Cr as front contact electrode and Al as back contact electrode. The obtained device was used to measure the photo-response (Dhyani and Das 2017a). Hasani et al. have deposited n-MoS 2 on p-Si substrate-based heterojunction using direct thermolysis synthesis method. This heterojunction device was used to study the photo-response behavior under solar light (Hasani et al. 2019). Krishan Kumar et al. have used the sputtering technique to deposit heterojunction of n-MoS 2 on p-Si substrate and obtained 2.92% efficiency under solar cell illumination (Kumar et al. 2020). Quanrong Deng et al. have designed and simulated theoretically n-MoS 2 /p-Si based heterojunction solar cell devices with the help of AMPS software (Deng et al. 2017a). Parasuraman et al. theoretically demonstrated solar cell property of MoS/Si heterojunction having 30 nm active layer thickness of MoS 2 using COMSOL software with a new concept and very few experimental works have been carried out. Therefore, there is a huge scope and need to investigate structure design to optimise device performance in details. In the present study, SCAPS-1D software is used to design the device structure and optimise its performance by varying thickness of MoS 2 (Parasuraman and Rathnakannan 2021). Most of the experimentally designed layered MoS 2 based devices have shown efficiency up to 4–10% but have not investigated the effects of working temperature, role of interface defects, and the metal contacts that also plays a decisive role in the device. Therefore, in this investigation, we have theoretically investigated the effects of working temperature, roles of interface defects, and metal contacts for the device performance. The outcome of this study indicates that the simulated device can work at elevated temperature. The decrease of the interface defects increases its efficiency up to 12% with different metal contacts. The novelty of this study lies in the variation of thickness and its correlation with its bandgap. The effects of varying metal contacts (both front and back contacts) are also thoroughly studied along with the interface defects as well as effects of temperature for the device. 2. Device Design and Simulation To analyse and simulate the n-MoS 2 /p-Si heterojunction device, we have used SCAPS-1D (one-dimensional solar cell simulation) software using continuity equations for both hole and electron along with, Poisson equations (Ali et al. 2025; Thomas et al. 2021; Zhao and Ouyang 2019). The equations are given as follows: $$\:\frac{d}{dx}\left\{\epsilon\:\left(x\right)\frac{dv}{dx}\right\}=q\left[p\left(x\right)-n\left(x\right)+{N}_{D}^{+}\left(x\right)+\:{N}_{A}^{-}\left(x\right)+{p}_{tr\:}\left(x\right)-\:{n}_{tr\:}\left(x\right)\right]\dots\:.\dots\:\dots\:\left(1\right)$$ $$\:-\frac{1}{{j}_{n}}\frac{d{j}_{n}}{dx}+\:{R}_{n}\left(x\right)-G\left(x\right)=0\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:.\dots\:\dots\:.\left(2\right)$$ $$\:-\frac{1}{{j}_{p}}\frac{d{j}_{p}}{dx}+\:{R}_{p}\left(x\right)-G\left(x\right)=0\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\dots\:\left(3\right).$$ Here, the Eq. (1) represents Poisson equation, where Eqs. (2) and (3) are the continuity equations for electrons and holes. In the Poisson equation, q, x, v , ε, p, n, N D + , N A − , n tr, and p tr represent electron charge, position coordinates, electron static potential, relative permittivity, concentration of holes and electrons, ionized donor and acceptor doping concentrations, trapped electrons and holes, respectively. In the Eqs. (2) and (3), the symbols G, R p (x), R n (x), j n , j p shows the generation rate, recombination rate of holes and electrons, current density of electrons and holes respectively (Aman Nowsherwan et al. 2021; Baro and Borgohain 2023; Burgelman et al. 2013; Hasani et al. 2019; Heterostructures 2014; Parasuraman and Rathnakannan 2021; Valeti et al. 2023a). These equations are used to find the short circuit current density (J sc (mA/cm 2 )), Open circuit voltage (V oc (V)), Fill factor (FF (%)), Efficiency (η (%)) . In the present work, we have proposed heterojunction structure-based device i.e. front metal contact/n-MoS 2 /p-Si/back metal contact as shown in Fig. 1 . The materials properties used in the simulation for heterojunction-based device is listed in Table 1 . Table 1 Parameter used in numerical simulation of heterojunction device (Deng et al. 2017b; Dhyani and Das 2017b; Scaps-d 2021; Srivastava et al. 2022). Material Parameters p-Si n-MoS 2 Thickness(nm) 100 (micrometre) 1–75 Band gap (eV) 1.12 1.3 Electron affinity (eV) 4.05 4.7 Dielectric permittivity (relative) 11.9 4 CB effective density of states (cm − 3 ) 2.80×10 19 7.50×10 17 VB effective density of state (cm − 3 ) 1.04×10 19 1.80×10 18 Electron/hole thermal velocity (cm/s) 1×10 7 1×10 7 Electron mobility (cm 2 .v − 1 .s − 1 ) 1.01×10 3 1×10 2 Hole mobility (cm 2 .v − 1 .s − 1 ) 4.43×10 2 1.50×10 2 Donor concentration (cm − 3 ) 0 1×10 17 Acceptor concentration (cm − 3 ) 2×10 17 0 Defect density (cm − 3 ) 1×10 14 1×10 14 3. Results and Discussion To optimise the performance of n-MoS 2 /p-Si heterojunction-based devices, the different parameters have been investigated that includes thickness variation of MoS 2 , interface defects, temperature on device performance along with the effect of series and shunt resistance. Further, the effects of these parameters are explained below. 3.1. Variation of thickness as a function of band gap Here, MoS 2 act as an important absorber layer of the heterostructure. In the semiconductor as the thickness of MoS 2 is less than 10 nm scale the quantum confinement are more prominate as well as bandgap also varies with thickness of the material. At the thickness of 1 nm it shows bandgap of 1.9 eV, whereas in greater than 10 nm it shows bandgap of 1.3 eV at the 2H phase structure (Wang et al. 2023; Yazyev and Kis 2015). Figure 2 (a) shows the Current density- voltage (J-V) characteristics of the n-MoS 2 /p-Si heterostructure based solar cell by varying the thickness of MoS 2 layer corresponding with band-gap. No significant change was observed in current from the J-V characteristics while change of thickness and efficiency observed in Fig. 2 (b). When the thickness of MoS 2 layer increases by more than 75 nm, the efficiency starts decreasing because generation or recombination of free charge carrier in the junction will be lesser in the bulk absorber layer (Deng et al. 2017a). For MoS 2 layer, Zhao et. al. investigated that the band gap varies with layer thickness due to change of material phase at different thickness (Zhao and Ouyang 2019). The values of the solar cell parameters as a function of band-gap obtained from the simulation results V oc , J sc , FF and η are found to be 0.42V, 43 mA, 68%, and 12%, respectively as shown in Table 2 , indicating that the performance of solar cell efficiency of n-MoS 2 /p-Si hetero-structure is maximum 12%. Table 2 Extracted parameters of p-Si/n-MoS 2 Based Heterojunction device. Thickness of MoS 2 (in nm) Band Gap of MoS 2 (eV) V oc (V) J sc (mA/cm 2 ) FF (%) η (%) 1 1 nm 1.8 0.42 43.54 69.50 12.75 2 4 nm 1.4 0.42 43.57 69.28 12.72 3 30 nm 1.3 0.42 43.50 68.87 12.63 4 40 nm 1.29 0.42 43.45 68.26 12.50 5 75 nm 1.29 0.42 41.89 66.83 11.79 3.2. Effect of variation of electron affinity of monolayer and bulk on device performance Electron affinity of the device impacts design performance in solar cells. In the semiconductor, electron affinity is the ability or tendency to add or accept the electrons in conduction band (CB). The formation of n-type MoS 2 is achieved due to doping, which affects the Fermi level that results in changing of electron affinity (Rahman et al. 2019). Figure 3 (a) and (b) show the current density v/s voltage (J-V) curve with respect to values of electron affinity of the material at two band-gaps of 1.8 eV (thickness = 1 nm) and 1.3 eV (thickness = 30 nm) respectively. The variation of electron affinity with the band-gap and thickness of materials for bulk and monolayer MoS 2 based heterojunction are given in Table-3. It is clearly seen from the table-3 that for bulk MoS 2 based heterojunction solar cells, the electron affinity changes from 4.0 eV to 4.7 eV at a band-gaps of 1.3 eV (thickness = 30 nm), the solar cells efficiency increases from 7.6–12.65% and again decreases upto 7.4% above the electron affinity of 4.35 eV. In case of monolayer MoS 2 based heterojunction solar cells, the electron affinity of n-MoS 2 varies between 4.0 eV to 4.7 eV; solar cell efficiency is obtained around 12% upto the electron affinity of 4.35 eV, above this again it decreases upto 9% at band-gap of 1.8 eV (thickness = 1 nm) (Dubey et al. 2013). The results are given in Table 3 and this is evident that the monolayer MoS 2 based heterojunction solar cells is more efficient compared with bulk MoS 2 based heterojunction solar cells. In the MoS 2 /p-Si based solar device, MoS 2 with electron affinity of 4.35 eV, photon-generation of carriers in effortlessly occurs, which results in the highest efficiency nearly 12%. Table 3 Electron affinity variation with band gap and thickness. Band gap Electron affinity Thickness of n-MoS 2 η (%) In Bulk 1.3 4 30 nm 7.68 1.3 4.35 30 nm 12.65 1.3 4.7 30 nm 7.44 In monolayer 1.8 4 1nm 12.35 1.8 4.35 1nm 12.75 1.8 4.7 1nm 8.84 Table 4 Impact of interfacial defect density on various device parameters. defect at the interface [1/cm²] V oc (V) J sc (mA/cm²) FF (%) η (%) 10 12 0.42 43.50 68.64 12.55 10 13 0.41 43.50 68.53 12.50 10 14 0.41 43.49 67.55 12.13 10 15 0.40 43.36 60.31 10.54 10 16 0.33 42.14 55.35 7.88 10 17 0.26 33.19 49.21 4.28 3.3. Effect of variation of interfacial defect on solar cell efficiency The interface of the junction in heterojunction devices will have an interfacial defect which arises during the fabrication due to diffusion of ions (Danladi et al. 2023; Deng et al. 2017a). So, the interfacial defects have a significant role in the performance of solar cell. In the present investigation, we have also an interface between MoS 2 and Si and a defect is found at the interface. Figure 4 (a) represents the J-V characteristic curve of heterojunction structure of bulk MoS 2 /p-Si device for different interfacial defect density which varies from 10 12 cm − 2 to 10 17 cm − 2 (Deng et al. 2017a). Table-4 obtained from numerical simulation depicts the effect of interface defect density with solar cell performance. It is found that solar cell efficiency decreases with increasing interfacial defect. The efficiency of the device is maximum 12% when the defect density is 10 12 cm − 2 whereas the same device gives an efficiency of 4% when the interface defect density is 10 17 cm − 2 . The reduction of efficiency is due to traps at the interface which recombine the electrons and holes (Deng et al. 2017a; Valeti et al. 2023b). In practice it is always advisable to reduce the interface defects to get higher efficiency. In Fig. 4 (b), the variation of device efficiency with interfacial defects density. Density which forms 10 12 to 10 17 cm − 2 which arise due to recombination of charge carried in the traps arising at interfacing defects. With the reduction of defects density in the device from 10 8 to 10 12 cm − 2 is gives the high efficiency performance. 3.4. Effect of various metal contact on heterojunction device performance The effect of various metal contacts on heterojunction device performance plays a significant role in solar cell. The effect of different metals as back contacts such as aluminium (Al), chromium (Cr), silver (Ag), tantalum (Ta), titanium (Ti), and fluorine-doped tin oxide (FTO) are investigated with MoS 2 /p-Si based solar cell device with the combination of same or different metal contacts at front and rear side (Pradhan et al. 2016b; Prakash et al. 2024; Valeti et al. 2023a). The contact of metal-semiconductor materials and its work function plays a major role because it forms either ohmic contact or Schottky contact. The work function of MoS 2 and p-Si is nearly 5.20 eV and 4.85 eV, respectively (Choi et al. 2014). Figure 5 shows the work function of different metals with their corresponding device efficiency while keeping the same material as front and back contact. The solar cell parameters such as work-function, V oc (V), J sc (mA/cm 2 ), FF (%) and η (%) obtained from the numerical simulation are listed in Table-5. Selection of perfect metal contact in heterojunction solar cells can help achieve high efficiency in devices because the performance of the solar cell depends on the work function of the metal contact (Deng et al. 2017a). It is observed from the Table 5 that metal contacts made by either Cr or FTO gives higher efficiency than any other metals has been tested because it has also the work function energy lies nearer to the MoS 2 and p-Si semiconductor, giving better results due to formation of ohmic contact. Table 5 Effect of homogeneous metal contact. Metal Names Al Cr Ag Ta Ti FTO Metal Work Function (eV) 4.2 4.37 4.3 4.25 4.33 4.4 V oc (V) 0.24 0.42 0.34 0.30 0.38 0.44 J sc (mA/cm 2 ) 43.49 43.51 43.50 43.50 43.51 43.51 FF (%) 57.58 69.01 66.04 61.28 67 71.14 η (%) 6.17 12.64 9.96 8.04 11.12 13.82 Figure 5 exhibits current density vs voltage (J-V) characteristic curve for different homogeneous metal contact in n-MoS 2 /p-Si based heterojunction solar cell device. In the present work, we investigated the different combinations of metal contacts at front and back sides. The combination of heterostructure metal contacts with their solar cell performance is shown in Table 6 . It is found the highest efficiency of 12% in device contact configuration of FTO/n-MoS 2 /p-Si/Cr, Al/n-MoS 2 /p-Si/Cr, Ti/n-MoS 2 /p-Si/Cr, Ag/n-MoS 2 /p-Si/Cr and Ta/n-MoS 2 /p-Si/Cr (Pradhan et al. 2016a). FTO is nearly transparent and elective electrode which suitable for light can pass and enhance in the active layer for collection of photogenerated carriers. Whereas, Cr make good ohmic contract with the device which improve charge transfer in the interface junction also it depends the electrical property of MoS 2 (Borah et al. 2020; Parasuraman and Rathnakannan 2021; Salih Omar 2022). Table 6 Effect of heterogeneous metal contact. Front Contact Junction Back Contact V oc (V) J sc (mA/cm 2 ) FF (%) η (%) 1 FTO n-MoS 2 /p-Si Al 0.24 43.37 57.03 6.1 2 n-MoS 2 /p-Si Cr 0.42 43.50 68.87 12.63 3 n-MoS 2 /p-Si Ti 0.38 43.49 66.62 11.05 4 n-MoS 2 /p-Si Ta 0.30 43.43 60.81 7.97 5 n-MoS 2 /p-Si Ag 0.34 43.47 65.57 9.88 6 Al n-MoS 2 /p-Si Cr 0.42 43.54 69.53 12.77 7 n-MoS 2 /p-Si Ti 0.38 43.53 67.25 11.17 8 n-MoS 2 /p-Si Ta 0.30 43.52 61.32 8.05 9 n-MoS 2 /p-Si Ag 0.34 43.53 66.20 9.99 10 Cr n-MoS 2 /p-Si Al 0.24 43.40 57.04 6.1 11 n-MoS 2 /p-Si Ti 0.38 43.50 66.75 11.07 12 n-MoS 2 /p-Si Ta 0.30 43.45 60.92 7.97 13 n-MoS 2 /p-Si Ag 0.34 43.48 65.65 9.98 14 Ti n-MoS 2 /p-Si Al 0.24 43.44 57.35 6.14 15 n-MoS 2 /p-Si Cr 0.42 43.52 69.26 12.71 16 n-MoS 2 /p-Si Ta 0.30 43.48 61.16 8.02 17 n-MoS 2 /p-Si Ag 0.34 43.50 65.92 9.94 18 Ta n-MoS 2 /p-Si Al 0.24 43.48 57.55 6.17 19 n-MoS 2 /p-Si Cr 0.42 43.53 69.48 12.76 20 n-MoS 2 /p-Si Ti 0.38 43.52 67.21 11.17 21 n-MoS 2 /p-Si Ag 0.34 43.51 66.04 9.96 22 Ag n-MoS 2 /p-Si Al 0.24 43.45 57.46 6.16 23 n-MoS2/p-Si Cr 0.42 43.52 69.37 12.73 24 n-MoS2/p-Si Ti 0.38 43.51 67.10 11.15 25 n-MoS2/p-Si Ta 0.30 43.48 61.21 8.03 3.5. Variation of temperature on solar cell performance The effect of temperature on solar cell devices plays a crucial role because most of the solar cells' performance decays with increasing temperature. Practically a solar cell can be used in different regions with different temperatures (Dubey et al. 2013; Valeti et al. 2023b). Nowadays, temperature at the earth's surface is increasing day by day due to global warming. Temperature commonly has a negative effect on solar cell device, and when the temperature rise, their efficiency may reduce (Baro and Borgohain 2023). Therefore it is necessary to evaluate the device performance at a higher temperature. The numerical simulation of FTO/n-MoS 2 /p-Si/Cr based heterojunction devices is carried out at different working temperatures from 300 K to 340K. Figure 6 (a) shows the J-V characteristic curve of the device at different temperatures. Interestingly, it is found that no significant changes in the J-V characteristic curve, which represent higher electrical and thermal stability over other material. The device efficiency is almost constant to 12% and decreases down slowly. Because of higher internal carrier recombination rates at higher temperatures, MoS 2 based solar cells shows less efficiency (Dubey et al. 2013). Figure 6 (b) shows the fill factor and efficiency of the heterojunction device at different temperatures. This device can work better at the high temperature regions like the Indian sub-continent or tropical region. Higher operating temperatures often have an impact on a material’s electrical characteristics, including bandgap, conductivity, resistivity, and mobility. They can also lower J sc , V oc , FF, η, Which can restrict or affect overall performance (Baro and Borgohain 2023). 3.6. Variation of series and shunt resistance on solar cell performance Solar cells are fabricated with different layers like metal contact, p-type and n-type layer, it also form interfaces. Due to stacking of various contacts, there will be a formation of series resistance and shunt resistance in the devices (Srivastava et al. 2022; Upadhyay and Singh 2023; Valeti et al. 2023b). In the electronics devices resistance is not an ignorable parameter. So it needs to consider and simulate the impact of solar cell performance with series resistance (R s ) and shunt resistance (R sh ). In solar device series resistance is zero ideally, for real world application variation of series resistance essential. Table 7 shows the effect of variation of series resistance (change from 0 to 15 ohm-cm 2 ) with different device performance parameters. From the Fig. 7 (a) showing that the V oc is independent of R s but J sc decreases as an increase in R s because of impedance present due to rise in series resistance which opposes the carrier flow (Upadhyay and Singh 2023). As a result, the fill factor and efficiency decrease with increasing series resistance, which is shown in Fig. 7 (b). Output power is getting less in devices as increasing in series resistance. So series resistance R s has a noticeable effect on the efficiency of the devices. Table 7 Effect of series resistance of solar cell. Series Resistance (Rs) (Ohm -cm 2 ) V oc (V) J sc (mA/cm 2 ) FF (%) η (%) 0 0.41 43.50 68.31 12.46 1 0.41 43.49 59.96 10.93 5 0.41 43.21 34.19 6.19 10 0.41 34.25 25.12 3.60 15 0.41 24.58 18.06 1.86 Also shunt resistance shows a big impact in solar devices in the recombination process due to defects in it. As decrease in defect, the shunt resistance (R sh ) increases respectively. R sh is infinite ideally, so required to simulate the impact of solar devices. Table 8 shows the variation of R sh from 50 to 900 ohm-cm 2 with other performance of solar cells. From the Fig. 7 (c) it shows that V oc of devices increases with the increase of R sh and J sc remains constant. Shut resistance affects the light generation current in devices which causes a decrease in the V oc . Figure 7 (d) shows fill factor and Efficiency rapidly increases as R sh rises due to less leakage current, this improves the output of solar cells. Table 8 Effect of shunt resistance of solar cell. Shunt Resistance (R sh ) (Ohm -cm 2 ) V oc (V) J sc (mA/cm 2 ) FF (%) η (%) 50 0.40 43.50 60.15 10.53 100 0.41 43.50 64.26 11.48 300 0.41 43.50 66.96 12.13 600 0.41 43.50 67.64 12.29 900 0.41 43.50 67.86 12.35 3.7. Energy band diagram The electrical functioning of solar cells can be understood by the energy band diagram of heterojunction devices, which explain electron position in different energy levels in the cell and describe how light interacts, and converts into electrical energy. Figure 8 represents the separation between the valency band (where electrons are present in bound) and conduction band (where electrons can move freely and conduct electricity). When light incident on the device, the electron is excited from valence band to conduction band, and then generates electric current by flow of electrons. To analyse the performance efficiency of solar cells, pair generation and recombination or other factor can be understood by an energy band diagram. The best efficiency achieved for the FTO/MoS 2 /p-Si/Cr combination is compared with the previously reported experimental work and given as the Table 9 . It can be seen that our simulation results are comparable to the experimental work. Table 9 Comparison between designed work and reported work. Device Structure η (%) Study type References ITO/MoS 2 /p-Si/Ag 9.81% Experimental (Huang et al. 2022) Al/n-MoS 2 /p-Si/Cr/Ag 5.23% Experimental (Tsai et al. 2014) Ag/n-MoS 2 /AIN/p-Si/Ag 3.53% Experimental (Kumar et al. 2020) Cr/MoS 2 /Si/Cr 4.5% Experimental (Pradhan et al. 2016a) FTO/MoS 2 /p-Si/Cr 12% Simulation This work 4. CONCLUSIONS Here, we have designed and evaluated the performance of MoS 2 -based solar cells by varying the active layer’s thickness, which leads to the change in the band gap, variation in the electron affinity. The performance of device is also examined by varying the homogeneous and heterogeneous metal contacts, change in interfacial defect density. The best combinations of different parameters give an efficiency of 12%, which is sufficiently high enough as compared to experimentally reported results. This study will provide basic insight into the development of high-performance solar cells and photodetector with 2D materials. Declarations Funding Declaration There was no funding. Author Contribution Ritishri Priyaranjan Pradhan : Data curation, Formal analysis, Visualization, Investigation, Methodology, Writing original draft, Writing - review & editing, Software.Sheo Kumar Mishra : Formal analysis, Writing - review & editing.Monoj Kumar Singha: Formal analysis, Writing - review & editing, Software.Arvind Kumar: Conceptualization, Resources, Supervision. Acknowledgement The authors thankfully acknowledge Dr. Marc Bargeman and his team, University of Gent, Belgium, for providing the SCAPS simulation software Data Availability Data was provided upon request. References Alali, A.S.: Enhancing Organic Photodetector Performance Based on PBDB-T / ITIC and GO : A SCAPS-1D Simulation Study Based on PBDB-T / ITIC and GO : A SCAPS-1D. 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Electron. 20, 1851–1859 (2021). https://doi.org/10.1007/s10825-021-01769-6 Pastuszak, J., Węgierek, P.: Photovoltaic Cell Generations and Current Research Directions for Their Development, (2022) Pradhan, S.K., Xiao, B., Pradhan, A.K.: Solar Energy Materials & Solar Cells Enhanced photo-response in p-Si / MoS 2 heterojunction-based solar cells. Sol. Energy Mater. Sol. Cells. 144, 117–127 (2016)(a). https://doi.org/10.1016/j.solmat.2015.08.021 Pradhan, S.K., Xiao, B., Pradhan, A.K.: Enhanced photo-response in p-Si/MoS2 heterojunction-based solar cells. Sol. Energy Mater. Sol. Cells. 144, 117–127 (2016)(b). https://doi.org/10.1016/j.solmat.2015.08.021 Prakash, K., Valeti, N.J., Indraja, B., Singha, M.K.: Modeling and optimization of numerical studies on CuSbS2 thin film solar cell with ∼ 15% efficiency. 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(2021). https://doi.org/10.36348/sb.2021.v07i07.004 Singh, A., Singh, A.K.: Origin of n -type conductivity of monolayer MoS 2. 121201, 1–5 (2019). https://doi.org/10.1103/PhysRevB.99.121201 Srivastava, S., Walia, R., Chauhan, M.S., Singh, R.S., Singh, V.K.: Numerical investigation of silicon heterojunction solar cell with zinc selenide as electron-selective and nickel oxide as hole-selective contacts. Opt. Mater. (Amst). 127, (2022). https://doi.org/10.1016/j.optmat.2022.112328 Thomas, N., Mathew, S., Nair, K.M., Dowd, K.O., Forouzandeh, P.: Materials Today Sustainability. 13, (2021). https://doi.org/10.1016/j.mtsust.2021.100073 Tsai, M., Su, S., Chang, J., Tsai, D., Chen, C., Wu, C., Li, L., Chen, L., He, J., Science, M., Engineering, E., Sciences, M., Sciences, M., Arabia, S.: Monolayer MoS 2 Heterojunction Solar. (2014) Ullah, S., Khan, F., Rasheed, F., Qamar, J.S.: cells : a theoretical study using SCAPS-1D. 1–22 (2025) Upadhyay, S., Singh, D.: EFFECT OF SERIES AND SHUNT RESISTANCE ON THE PERFORMANCE OF KESTERITE SOLAR CELLS. Int. J. Sci. Res. Mod. Sci. Technol. 2, 38–45 (2023). https://doi.org/10.59828/ijsrmst.v2i8.134 Valeti, N.J., Prakash, K., Singha, M.K.: Results in Optics Numerical simulation and optimization of lead free CH 3 NH 3 SnI 3 perovskite solar cell with CuSbS 2 as HTL using SCAPS 1D. Results Opt. 12, 100440 (2023)(a). https://doi.org/10.1016/j.rio.2023.100440 Valeti, N.J., Prakash, K., Singha, M.K.: Numerical simulation and optimization of lead free CH3NH3SnI3 perovskite solar cell with CuSbS2 as HTL using SCAPS 1D. Results Opt. 12, (2023)(b). https://doi.org/10.1016/j.rio.2023.100440 Vancsó, P., Magda, G.Z., Pető, J., Noh, J., Kim, Y.: The intrinsic defect structure of exfoliated MoS 2 single layers revealed by Scanning Tunneling Microscopy. Nat. Publ. Gr. 1–7 (2016). https://doi.org/10.1038/srep29726 Wang, Y., Wang, Y., Dong, Y., Zhou, L., Kang, J., Wang, N., Li, Y., Yuan, X., Zhang, Z., Huang, H.: modulation 2D Nb 2 CT x MXene / MoS 2 heterostructure construction for nonlinear optical absorption modulation. (2023). https://doi.org/10.29026/oea.2022.200046 Yazyev, O. V., Kis, A.: MoS2 and semiconductors in the flatland. In: Materials Today. pp. 20–30. Elsevier B.V. (2015) Zhao, Y., Ouyang, G.: Thickness-dependent photoelectric properties of MoS2/Si heterostructure solar cells. Sci. Rep. 9, (2019). https://doi.org/10.1038/s41598-019-53936-2 Zhao, Y., Tripathi, M., Avsar, A., Ji, H.G., Francisco, J., Marin, G., Cheon, C., Wang, Z., Yazyev, O. V, Kis, A.: Electrical spectroscopy of defect states and their hybridization in monolayer MoS 2. 1–9 (2023). https://doi.org/10.1038/s41467-022-35651-1 Zhu, J., Wu, J., Sun, Y., Huang, J., Xia, Y., Wang, H., Wang, H., Wang, Y., Yi, Q., Zou, G.: Thickness-dependent bandgap tunable molybdenum disulfide films for optoelectronics. RSC Adv. 6, 110604–110609 (2016). https://doi.org/10.1039/C6RA22496B Additional Declarations No competing interests reported. Cite Share Download PDF Status: Posted Version 1 posted You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. As a division of Research Square Company, we’re committed to making research communication faster, fairer, and more useful. We do this by developing innovative software and high quality services for the global research community. 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Also discoverable on Platform About Our Team In Review Editorial Policies Advisory Board Help Center Resources Author Services Accessibility API Access RSS feed Manage Cookie Preferences © Research Square 2026 | ISSN 2693-5015 (online) Privacy Policy Terms of Service Do Not Sell My Personal Information {"props":{"pageProps":{"initialData":{"identity":"rs-5909500","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":408139711,"identity":"cd0d7da3-1af0-4a6b-982d-2ffd60e9e8a3","order_by":0,"name":"Ritishri Priyaranjan Pradhan","email":"","orcid":"","institution":"University of Allahabad","correspondingAuthor":false,"prefix":"","firstName":"Ritishri","middleName":"Priyaranjan","lastName":"Pradhan","suffix":""},{"id":408139712,"identity":"3fd10695-7a0c-43f3-af04-d54f17967950","order_by":1,"name":"Sheo Kumar Mishra","email":"","orcid":"","institution":"Indira Gandhi National Tribal University","correspondingAuthor":false,"prefix":"","firstName":"Sheo","middleName":"Kumar","lastName":"Mishra","suffix":""},{"id":408139713,"identity":"45052b23-965a-48b9-8014-2fc3c6a90152","order_by":2,"name":"Monoj Kumar Singha","email":"","orcid":"","institution":"University of Allahabad","correspondingAuthor":false,"prefix":"","firstName":"Monoj","middleName":"Kumar","lastName":"Singha","suffix":""},{"id":408139714,"identity":"2c234f19-512d-429f-b825-b93f086befe7","order_by":3,"name":"Arvind Kumar","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAABAklEQVRIiWNgGAWjYJCCAwxsCSCa8QFDgQVjAwMQgQAbEVqYDRgMJIjTwgDVwiYB0UIA8M8+Y3i4oCwtcW372WcVPwwkZDfcbm6TYKixY+CTxq5b4lyOweEZ53ISt51JN7vZYyBhvOHOQaCWY8kMbDIHsFtzhi3hMG9bReK2A2lsN3gMJBI33EhsNmBgA3pQIgGrDnm4lvPP2Ar/wLX8w63F4AzzAaAWoMNupLExQ21pfMDYhluLIUgLz7k04203njFLywD9MhOkJbEvmQeXFrkzjM2fecqSZbedT2P8+KbCRrbvRvqDAx++2cnJz8CuBQcAKuYhRf0oGAWjYBSMAlQAAIRwYIySci+HAAAAAElFTkSuQmCC","orcid":"","institution":"University of Allahabad","correspondingAuthor":true,"prefix":"","firstName":"Arvind","middleName":"","lastName":"Kumar","suffix":""}],"badges":[],"createdAt":"2025-01-27 05:23:15","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-5909500/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-5909500/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":75076873,"identity":"f7d288a1-71e2-46d2-93c6-a7dd3e71165f","added_by":"auto","created_at":"2025-01-30 08:06:12","extension":"jpg","order_by":1,"title":"Figure 1","display":"","copyAsset":false,"role":"figure","size":45744,"visible":true,"origin":"","legend":"\u003cp\u003e(a) 2D and (b) 3D structure of n-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si heterojunction solar cell.\u003c/p\u003e","description":"","filename":"1.jpg","url":"https://assets-eu.researchsquare.com/files/rs-5909500/v1/4de44414de6ab31b58ce8c81.jpg"},{"id":75076872,"identity":"3d2d6eeb-b5fd-49e2-a7d9-e4c00a17f2e3","added_by":"auto","created_at":"2025-01-30 08:06:12","extension":"jpg","order_by":2,"title":"Figure 2","display":"","copyAsset":false,"role":"figure","size":68274,"visible":true,"origin":"","legend":"\u003cp\u003e(a)\u003cstrong\u003e \u003c/strong\u003eVariation of J-V curve as a function of thickness, (b) Variation of thickness on band gap and efficiency.\u003c/p\u003e","description":"","filename":"2.jpg","url":"https://assets-eu.researchsquare.com/files/rs-5909500/v1/c955187a5161251e23e11735.jpg"},{"id":75076875,"identity":"cd740a81-eb30-4e9c-8f62-82e821b5763a","added_by":"auto","created_at":"2025-01-30 08:06:12","extension":"jpg","order_by":3,"title":"Figure 3","display":"","copyAsset":false,"role":"figure","size":52496,"visible":true,"origin":"","legend":"\u003cp\u003e(a) Represent J-V curve with variation of electron affinity in monolayer of MoS\u003csub\u003e2 \u003c/sub\u003eand (b) bulk layer of MoS\u003csub\u003e2\u003c/sub\u003e.\u003c/p\u003e","description":"","filename":"3.jpg","url":"https://assets-eu.researchsquare.com/files/rs-5909500/v1/9ca2f9faebb47e710686fe64.jpg"},{"id":75076876,"identity":"a8ff0552-8eda-4594-b32a-4ce203be959f","added_by":"auto","created_at":"2025-01-30 08:06:12","extension":"jpg","order_by":4,"title":"Figure 4","display":"","copyAsset":false,"role":"figure","size":42795,"visible":true,"origin":"","legend":"\u003cp\u003e(a) J-V characteristic curve of heterojunction with variation in interfacial defect density, (b) interfacial defect density vs efficiency.\u003c/p\u003e","description":"","filename":"4.jpg","url":"https://assets-eu.researchsquare.com/files/rs-5909500/v1/23f7d6fc56d44badfeb6d9ee.jpg"},{"id":75076880,"identity":"732e663d-6c7e-4859-add3-7c027aba1537","added_by":"auto","created_at":"2025-01-30 08:06:12","extension":"jpg","order_by":5,"title":"Figure 5","display":"","copyAsset":false,"role":"figure","size":63831,"visible":true,"origin":"","legend":"\u003cp\u003eJ-V curve of heterojunction device with different metal contact.\u003c/p\u003e","description":"","filename":"5.jpg","url":"https://assets-eu.researchsquare.com/files/rs-5909500/v1/403d233f9e06e71a21ad1586.jpg"},{"id":75076878,"identity":"6c19da4a-2d07-4365-8c79-47215f9908ff","added_by":"auto","created_at":"2025-01-30 08:06:12","extension":"jpg","order_by":6,"title":"Figure 6","display":"","copyAsset":false,"role":"figure","size":57350,"visible":true,"origin":"","legend":"\u003cp\u003e(a) J-V response curve of device with variation of working temperature, (b) influence of temperature on device efficiency and fill factor.\u003c/p\u003e","description":"","filename":"6.jpg","url":"https://assets-eu.researchsquare.com/files/rs-5909500/v1/66b0ea83e0564eac7434b242.jpg"},{"id":75076885,"identity":"e8ec989a-a936-4ad3-a91a-f5ad279e43bc","added_by":"auto","created_at":"2025-01-30 08:06:12","extension":"jpg","order_by":7,"title":"Figure 7","display":"","copyAsset":false,"role":"figure","size":87845,"visible":true,"origin":"","legend":"\u003cp\u003e(a) Effect of R\u003csub\u003es\u003c/sub\u003e on open circuit voltage, short circuit current,\u003cstrong\u003e \u003c/strong\u003e(b) effect of R\u003csub\u003es\u003c/sub\u003e on fill factor (FF%), efficiency (Eta%), (c) effect of R\u003csub\u003esh \u003c/sub\u003eon open circuit voltage, short circuit current, (d) effect of R\u003csub\u003esh\u003c/sub\u003e on fill factor (FF%), efficiency (η%).\u003c/p\u003e","description":"","filename":"7.jpg","url":"https://assets-eu.researchsquare.com/files/rs-5909500/v1/c48a57ec625b85361a42408a.jpg"},{"id":75076881,"identity":"96749a29-56a1-4d4f-b469-31f9909a8cb0","added_by":"auto","created_at":"2025-01-30 08:06:12","extension":"jpg","order_by":8,"title":"Figure 8","display":"","copyAsset":false,"role":"figure","size":43911,"visible":true,"origin":"","legend":"\u003cp\u003eEnergy band diagram of n-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si.\u003c/p\u003e","description":"","filename":"9.jpg","url":"https://assets-eu.researchsquare.com/files/rs-5909500/v1/44bdc92aac72a72fa28ff1bf.jpg"},{"id":75805191,"identity":"62245edd-295e-4446-a6dc-5346b5ef77a2","added_by":"auto","created_at":"2025-02-08 17:16:32","extension":"pdf","order_by":0,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":1682595,"visible":true,"origin":"","legend":"","description":"","filename":"manuscript.pdf","url":"https://assets-eu.researchsquare.com/files/rs-5909500/v1/0c22e65f-69e4-4fde-b2d0-e045ad989102.pdf"}],"financialInterests":"No competing interests reported.","formattedTitle":"Design and performance analysis of n-MoS 2 /p-Si heterojunction solar cell for emerging optoelectronic applications","fulltext":[{"header":"1. Introduction","content":"\u003cp\u003eCurrently, power consumption worldwide is witnessing a growing trend year by year. Most of the power consumption needs is getting fulfilled by burning fossil fuel which creates carbon emission, results in global warming and pollution. Moreover, day by day the fossil fuel is also getting exhausted (Pastuszak and Węgierek 2022; Ullah et al. 2025). Therefore, scientific communities and researchers are trying to develop carbon free, clean, and green natural energy sources. Solar cells or photovoltaic cells is the one of optoelectronic devices that provides the clean and green energy, generates electricity directly from the sunlight (Prakash et al. 2024; Valeti et al. 2023a). A number of authors have investigated the development and production of clean and green energy with the help of different generations of solar and photovoltaic energy sources using various materials and techniques. The first generation solar cell was developed using Sillicon (Si), while second generation was based on layers of thin films of various materials (Prakash et al. 2024). Currently, research on solar cells in 3rd generation is based on numerous materials such as perovskite, organic materials, and 2D materials (Aman Nowsherwan et al. 2021). Among these materials, 2D-based materials such as graphene and transition metal dichalcogenides (TMDs) are in demand for future solar photovoltaic techniques and have potential in solar cell fabrication because of their distinctive properties such as high electron mobility that leads efficient energy conversation, tunable electronic structure and can reduce thickness of active absorber which makes thinner, light-weight and flexible solar cells. 2D materials are the most appropriate candidates for interface and work-function engineering that optimizes the structure of solar cells as well as principle contact layer materials (Danladi et al. 2023; Pradhan et al. 2016a).\u003c/p\u003e \u003cp\u003eAmong the 2D materials, TMDs such as MoS\u003csub\u003e2\u003c/sub\u003e, WS\u003csub\u003e2\u003c/sub\u003e, MoSe\u003csub\u003e2,\u003c/sub\u003e and WSe\u003csub\u003e2\u003c/sub\u003e based materials have chemical composition of MX\u003csub\u003e2\u003c/sub\u003e where M and X represent transition metal and chalcogen metals (Te, Se, S), respectively. These TMDs based materials have very much potential in solar cell application due to their low production cost, high chemical, and thermal stability, mechanical flexibility (Thomas et al. 2021; Yazyev and Kis 2015; Zhao et al. 2023). It shows high electrical and optical properties with respect to graphene making superior heterojunctions with Si together with charge traps in the interface of bonding and strong electron hole confinement (Deng et al. 2017a; Pradhan et al. 2016a). Over the homo-junction based solar cell, in heterojuction based solar cell have leverage to combining materials with corresponding several material properties as a consequential in higher effeiciency, enhanced temperature performance with reducing combination losses and making as superior choice for solar cell application. TMDs materials are the prominent candidate for advanced photoelectronic devices such as light-matter interaction, photodetectors, gas sensors, storage applications, photovoltaic cells or solar cells, tremendous absorption capability in visible range, thin film transistors, integrated circuits (IC), and tera-hartz application (Ermolaev et al. 2020; Rasamani et al. 2017; Zhao and Ouyang 2019; Zhu et al. 2016). MoS\u003csub\u003e2\u003c/sub\u003e shows trigonal, rhombohedral, octahedral, and hexagonal phases in bulk materials, whereas hexagonal forms only in monolayer and shows metallic and semiconductor behaviour. Covalent bond is formed between Mo-S, whereas another S layer is bonded with Van der-waal interaction which makes the layer of stacks. In the Monolayer MoS\u003csub\u003e2\u003c/sub\u003e thin film Mo(+\u0026thinsp;4) with S(-2) present in S-Mo-S alignment having thickness almost 1 nm. The formation of monolayered MoS\u003csub\u003e2\u003c/sub\u003e is due to breaking of weak van der waal force and bulk TMDs are formed by arrays of X-M-X films with phase-dependent structure (Applications 2021; Le et al. 2021; Liu et al. 2018; Vancs\u0026oacute; et al. 2016).\u003c/p\u003e \u003cp\u003eGenerally, the electron and hole conductivity of MoS\u003csub\u003e2\u003c/sub\u003e is due to defects as well as doping of different elements such as copper, scandium, and chromium form n-type whereas zinc, nickel, titanium form p-type MoS\u003csub\u003e2\u003c/sub\u003e. Light absorption in MoS\u003csub\u003e2\u003c/sub\u003e is larger than Si and GaAs based materials that lies in the range of 350 nm to 950 nm, \u003cem\u003ei.e.\u003c/em\u003e visible to near-IR region, and make it a suitable metal for photonic applications. Thickness is also an important parameter for solar cells. Thickness variations of MoS\u003csub\u003e2\u003c/sub\u003e at the nanoscale vary as a function of bandgap from 1.9 eV for mono-layer (direct band-gap) to 1.29 eV for bulk material (indirect band-gap). MoS\u003csub\u003e2,\u003c/sub\u003e having 1 nm thickness with a direct band-gap of 1.9 eV shows more absorbing properties (Dhyani and Das 2017a; Huang et al. 2022; Le et al. 2021; Mak et al. 2010; Singh and Singh 2019; Srivastava et al. 2022).\u003c/p\u003e \u003cp\u003ePradhan \u003cem\u003eet al\u003c/em\u003e. have fabricated MoS\u003csub\u003e2\u003c/sub\u003e-Si heterojunction based solar cells using pulsed laser deposition (PLD) method in which n-type MoS\u003csub\u003e2\u003c/sub\u003e film was deposited on p-type Si substrate. The fabricated heterostructure film was annealed at 400 \u003csup\u003e0\u003c/sup\u003eC to reduce the interface defects and obtained 4.5% efficiency for the optimized device (Pradhan et al. 2016a). Meng Tsai \u003cem\u003eet al.\u003c/em\u003e have fabricated MoS\u003csub\u003e2\u003c/sub\u003e with p-Si heterojunction based photovoltaic devices using chemical vapour deposition (CVD) method and reported maximum efficiency of 5.23% obtained in TMDs based solar cells (Alali 2024). Das \u003cem\u003eet al.\u003c/em\u003e have fabricated MoS\u003csub\u003e2\u003c/sub\u003e/Si based heterojunction using CVD method in which Cr as front contact electrode and Al as back contact electrode. The obtained device was used to measure the photo-response (Dhyani and Das 2017a). Hasani \u003cem\u003eet al.\u003c/em\u003e have deposited n-MoS\u003csub\u003e2\u003c/sub\u003e on p-Si substrate-based heterojunction using direct thermolysis synthesis method. This heterojunction device was used to study the photo-response behavior under solar light (Hasani et al. 2019). Krishan Kumar \u003cem\u003eet al.\u003c/em\u003e have used the sputtering technique to deposit heterojunction of n-MoS\u003csub\u003e2\u003c/sub\u003e on p-Si substrate and obtained 2.92% efficiency under solar cell illumination (Kumar et al. 2020). Quanrong Deng \u003cem\u003eet al.\u003c/em\u003e have designed and simulated theoretically n-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si based heterojunction solar cell devices with the help of AMPS software (Deng et al. 2017a). Parasuraman \u003cem\u003eet al.\u003c/em\u003e theoretically demonstrated solar cell property of MoS/Si heterojunction having 30 nm active layer thickness of MoS\u003csub\u003e2\u003c/sub\u003e using COMSOL software with a new concept and very few experimental works have been carried out. Therefore, there is a huge scope and need to investigate structure design to optimise device performance in details. In the present study, SCAPS-1D software is used to design the device structure and optimise its performance by varying thickness of MoS\u003csub\u003e2\u003c/sub\u003e (Parasuraman and Rathnakannan 2021).\u003c/p\u003e \u003cp\u003eMost of the experimentally designed layered MoS\u003csub\u003e2\u003c/sub\u003e based devices have shown efficiency up to 4\u0026ndash;10% but have not investigated the effects of working temperature, role of interface defects, and the metal contacts that also plays a decisive role in the device. Therefore, in this investigation, we have theoretically investigated the effects of working temperature, roles of interface defects, and metal contacts for the device performance. The outcome of this study indicates that the simulated device can work at elevated temperature. The decrease of the interface defects increases its efficiency up to 12% with different metal contacts. The novelty of this study lies in the variation of thickness and its correlation with its bandgap. The effects of varying metal contacts (both front and back contacts) are also thoroughly studied along with the interface defects as well as effects of temperature for the device.\u003c/p\u003e"},{"header":"2. Device Design and Simulation","content":"\u003cp\u003eTo analyse and simulate the n-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si heterojunction device, we have used SCAPS-1D (one-dimensional solar cell simulation) software using continuity equations for both hole and electron along with, Poisson equations (Ali et al. 2025; Thomas et al. 2021; Zhao and Ouyang 2019). The equations are given as follows:\u003cdiv id=\"Equa\" class=\"Equation\"\u003e\u003cdiv format=\"TEX\" class=\"mathdisplay\" id=\"FileID_Equa\" name=\"EquationSource\"\u003e\n$$\\:\\frac{d}{dx}\\left\\{\\epsilon\\:\\left(x\\right)\\frac{dv}{dx}\\right\\}=q\\left[p\\left(x\\right)-n\\left(x\\right)+{N}_{D}^{+}\\left(x\\right)+\\:{N}_{A}^{-}\\left(x\\right)+{p}_{tr\\:}\\left(x\\right)-\\:{n}_{tr\\:}\\left(x\\right)\\right]\\dots\\:.\\dots\\:\\dots\\:\\left(1\\right)$$\u003c/div\u003e\u003c/div\u003e\u003cdiv id=\"Equb\" class=\"Equation\"\u003e\u003cdiv format=\"TEX\" class=\"mathdisplay\" id=\"FileID_Equb\" name=\"EquationSource\"\u003e\n$$\\:-\\frac{1}{{j}_{n}}\\frac{d{j}_{n}}{dx}+\\:{R}_{n}\\left(x\\right)-G\\left(x\\right)=0\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:.\\dots\\:\\dots\\:.\\left(2\\right)$$\u003c/div\u003e\u003c/div\u003e\u003cdiv id=\"Equc\" class=\"Equation\"\u003e\u003cdiv format=\"TEX\" class=\"mathdisplay\" id=\"FileID_Equc\" name=\"EquationSource\"\u003e\n$$\\:-\\frac{1}{{j}_{p}}\\frac{d{j}_{p}}{dx}+\\:{R}_{p}\\left(x\\right)-G\\left(x\\right)=0\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\dots\\:\\left(3\\right).$$\u003c/div\u003e\u003c/div\u003e\u003c/p\u003e \u003cp\u003eHere, the Eq.\u0026nbsp;(1) represents Poisson equation, where Eqs.\u0026nbsp;(2) and (3) are the continuity equations for electrons and holes. In the Poisson equation, q, x, \u003cem\u003ev\u003c/em\u003e, ε, p, n, N\u003csub\u003eD\u003c/sub\u003e\u003csup\u003e+\u003c/sup\u003e, N\u003csub\u003eA\u003c/sub\u003e\u003csup\u003e\u0026minus;\u003c/sup\u003e, n\u003csub\u003etr,\u003c/sub\u003e and p\u003csub\u003etr\u003c/sub\u003e represent electron charge, position coordinates, electron static potential, relative permittivity, concentration of holes and electrons, ionized donor and acceptor doping concentrations, trapped electrons and holes, respectively. In the Eqs.\u0026nbsp;(2) and (3), the symbols G, R\u003csub\u003ep\u003c/sub\u003e(x), R\u003csub\u003en\u003c/sub\u003e(x), j\u003csub\u003en\u003c/sub\u003e, j\u003csub\u003ep\u003c/sub\u003e shows the generation rate, recombination rate of holes and electrons, current density of electrons and holes respectively (Aman Nowsherwan et al. 2021; Baro and Borgohain 2023; Burgelman et al. 2013; Hasani et al. 2019; Heterostructures 2014; Parasuraman and Rathnakannan 2021; Valeti et al. 2023a). These equations are used to find the short circuit current density (J\u003csub\u003esc\u003c/sub\u003e (mA/cm\u003csup\u003e2\u003c/sup\u003e)), Open circuit voltage (V\u003csub\u003eoc\u003c/sub\u003e (V)), Fill factor (FF (%)), Efficiency (η (%)) .\u003c/p\u003e \u003cp\u003eIn the present work, we have proposed heterojunction structure-based device \u003cem\u003ei.e.\u003c/em\u003e front metal contact/n-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si/back metal contact as shown in Fig.\u0026nbsp;\u003cspan refid=\"Fig1\" class=\"InternalRef\"\u003e1\u003c/span\u003e. The materials properties used in the simulation for heterojunction-based device is listed in Table\u0026nbsp;\u003cspan refid=\"Tab1\" class=\"InternalRef\"\u003e1\u003c/span\u003e.\u003c/p\u003e \u003cp\u003e \u003cdiv class=\"gridtable\"\u003e\u003ctable float=\"Yes\" id=\"Tab1\" border=\"1\"\u003e \u003ccaption language=\"En\"\u003e \u003cdiv class=\"CaptionNumber\"\u003eTable 1\u003c/div\u003e \u003cdiv class=\"CaptionContent\"\u003e \u003cp\u003e\u003cb\u003eParameter used in numerical simulation of heterojunction device\u003c/b\u003e (Deng et al. 2017b; Dhyani and Das 2017b; Scaps-d 2021; Srivastava et al. 2022).\u003c/p\u003e \u003c/div\u003e \u003c/caption\u003e \u003ccolgroup cols=\"3\"\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c1\" colnum=\"1\"\u003e\u003c/div\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c2\" colnum=\"2\"\u003e\u003c/div\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c3\" colnum=\"3\"\u003e\u003c/div\u003e \u003cthead\u003e \u003ctr\u003e \u003cth align=\"left\" colname=\"c1\"\u003e \u003cp\u003eMaterial Parameters\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c2\"\u003e \u003cp\u003ep-Si\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e\u003c/p\u003e \u003c/th\u003e \u003c/tr\u003e \u003c/thead\u003e \u003ctbody\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eThickness(nm)\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e100 (micrometre)\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003e1\u0026ndash;75\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eBand gap (eV)\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e1.12\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003e1.3\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eElectron affinity (eV)\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e4.05\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003e4.7\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eDielectric permittivity (relative)\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e11.9\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003e4\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eCB effective density of states (cm\u003csup\u003e\u0026minus;\u0026thinsp;3\u003c/sup\u003e)\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e2.80\u0026times;10\u003csup\u003e19\u003c/sup\u003e\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003e7.50\u0026times;10\u003csup\u003e17\u003c/sup\u003e\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eVB effective density of state (cm\u003csup\u003e\u0026minus;\u0026thinsp;3\u003c/sup\u003e)\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e1.04\u0026times;10\u003csup\u003e19\u003c/sup\u003e\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003e1.80\u0026times;10\u003csup\u003e18\u003c/sup\u003e\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eElectron/hole thermal velocity (cm/s)\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e1\u0026times;10\u003csup\u003e7\u003c/sup\u003e\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003e1\u0026times;10\u003csup\u003e7\u003c/sup\u003e\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eElectron mobility (cm\u003csup\u003e2\u003c/sup\u003e.v\u003csup\u003e\u0026minus;\u0026thinsp;1\u003c/sup\u003e.s\u003csup\u003e\u0026minus;\u0026thinsp;1\u003c/sup\u003e)\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e1.01\u0026times;10\u003csup\u003e3\u003c/sup\u003e\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003e1\u0026times;10\u003csup\u003e2\u003c/sup\u003e\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eHole mobility (cm\u003csup\u003e2\u003c/sup\u003e.v\u003csup\u003e\u0026minus;\u0026thinsp;1\u003c/sup\u003e.s\u003csup\u003e\u0026minus;\u0026thinsp;1\u003c/sup\u003e)\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e4.43\u0026times;10\u003csup\u003e2\u003c/sup\u003e\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003e1.50\u0026times;10\u003csup\u003e2\u003c/sup\u003e\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eDonor concentration (cm\u003csup\u003e\u0026minus;\u0026thinsp;3\u003c/sup\u003e)\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e0\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003e1\u0026times;10\u003csup\u003e17\u003c/sup\u003e\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eAcceptor concentration (cm\u003csup\u003e\u0026minus;\u0026thinsp;3\u003c/sup\u003e)\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e2\u0026times;10\u003csup\u003e17\u003c/sup\u003e\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003e0\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eDefect density (cm\u003csup\u003e\u0026minus;\u0026thinsp;3\u003c/sup\u003e)\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e1\u0026times;10\u003csup\u003e14\u003c/sup\u003e\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003e1\u0026times;10\u003csup\u003e14\u003c/sup\u003e\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003c/tbody\u003e \u003c/colgroup\u003e \u003c/table\u003e\u003c/div\u003e \u003c/p\u003e"},{"header":"3. Results and Discussion","content":"\u003cp\u003eTo optimise the performance of n-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si heterojunction-based devices, the different parameters have been investigated that includes thickness variation of MoS\u003csub\u003e2\u003c/sub\u003e, interface defects, temperature on device performance along with the effect of series and shunt resistance. Further, the effects of these parameters are explained below.\u003c/p\u003e \u003cdiv id=\"Sec4\" class=\"Section2\"\u003e \u003ch2\u003e3.1. Variation of thickness as a function of band gap\u003c/h2\u003e \u003cp\u003eHere, MoS\u003csub\u003e2\u003c/sub\u003e act as an important absorber layer of the heterostructure. In the semiconductor as the thickness of MoS\u003csub\u003e2\u003c/sub\u003e is less than 10 nm scale the quantum confinement are more prominate as well as bandgap also varies with thickness of the material. At the thickness of 1 nm it shows bandgap of 1.9 eV, whereas in greater than 10 nm it shows bandgap of 1.3 eV at the 2H phase structure (Wang et al. 2023; Yazyev and Kis 2015).\u003c/p\u003e \u003cp\u003eFigure\u0026nbsp;\u003cspan refid=\"Fig2\" class=\"InternalRef\"\u003e2\u003c/span\u003e (a) shows the Current density- voltage (J-V) characteristics of the n-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si heterostructure based solar cell by varying the thickness of MoS\u003csub\u003e2\u003c/sub\u003e layer corresponding with band-gap. No significant change was observed in current from the J-V characteristics while change of thickness and efficiency observed in Fig.\u0026nbsp;\u003cspan refid=\"Fig2\" class=\"InternalRef\"\u003e2\u003c/span\u003e (b). When the thickness of MoS\u003csub\u003e2\u003c/sub\u003e layer increases by more than 75 nm, the efficiency starts decreasing because generation or recombination of free charge carrier in the junction will be lesser in the bulk absorber layer (Deng et al. 2017a). For MoS\u003csub\u003e2\u003c/sub\u003e layer, Zhao et. al. investigated that the band gap varies with layer thickness due to change of material phase at different thickness (Zhao and Ouyang 2019). The values of the solar cell parameters as a function of band-gap obtained from the simulation results V\u003csub\u003eoc\u003c/sub\u003e, J\u003csub\u003esc\u003c/sub\u003e, FF and η are found to be 0.42V, 43 mA, 68%, and 12%, respectively as shown in Table\u0026nbsp;\u003cspan refid=\"Tab2\" class=\"InternalRef\"\u003e2\u003c/span\u003e, indicating that the performance of solar cell efficiency of n-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si hetero-structure is maximum 12%.\u003c/p\u003e \u003cp\u003e \u003cdiv class=\"gridtable\"\u003e\u003ctable float=\"Yes\" id=\"Tab2\" border=\"1\"\u003e \u003ccaption language=\"En\"\u003e \u003cdiv class=\"CaptionNumber\"\u003eTable 2\u003c/div\u003e \u003cdiv class=\"CaptionContent\"\u003e \u003cp\u003eExtracted parameters of p-Si/n-MoS\u003csub\u003e2\u003c/sub\u003e Based Heterojunction device.\u003c/p\u003e \u003c/div\u003e \u003c/caption\u003e \u003ccolgroup cols=\"7\"\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c1\" colnum=\"1\"\u003e\u003c/div\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c2\" colnum=\"2\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c3\" colnum=\"3\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c4\" colnum=\"4\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c5\" colnum=\"5\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c6\" colnum=\"6\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c7\" colnum=\"7\"\u003e\u003c/div\u003e \u003cthead\u003e \u003ctr\u003e \u003cth align=\"left\" colname=\"c1\"\u003e\u0026nbsp;\u003c/th\u003e \u003cth align=\"left\" colname=\"c2\"\u003e \u003cp\u003eThickness of MoS\u003csub\u003e2\u003c/sub\u003e\u003c/p\u003e \u003cp\u003e(in nm)\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c3\"\u003e \u003cp\u003eBand Gap of MoS\u003csub\u003e2\u003c/sub\u003e (eV)\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c4\"\u003e \u003cp\u003eV\u003csub\u003eoc\u003c/sub\u003e (V)\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c5\"\u003e \u003cp\u003eJ\u003csub\u003esc\u003c/sub\u003e (mA/cm\u003csup\u003e2\u003c/sup\u003e)\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c6\"\u003e \u003cp\u003eFF (%)\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c7\"\u003e \u003cp\u003eη (%)\u003c/p\u003e \u003c/th\u003e \u003c/tr\u003e \u003c/thead\u003e \u003ctbody\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e1\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e1 nm\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e1.8\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e0.42\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e43.54\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e69.50\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e12.75\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e2\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e4 nm\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e1.4\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e0.42\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e43.57\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e69.28\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e12.72\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e3\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e30 nm\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e1.3\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e0.42\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e43.50\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e68.87\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e12.63\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e4\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e40 nm\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e1.29\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e0.42\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e43.45\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e68.26\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e12.50\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e5\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e75 nm\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e1.29\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e0.42\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e41.89\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e66.83\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e11.79\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003c/tbody\u003e \u003c/colgroup\u003e \u003c/table\u003e\u003c/div\u003e \u003c/p\u003e \u003c/div\u003e \u003cdiv id=\"Sec5\" class=\"Section2\"\u003e \u003ch2\u003e3.2. Effect of variation of electron affinity of monolayer and bulk on device performance\u003c/h2\u003e \u003cp\u003eElectron affinity of the device impacts design performance in solar cells. In the semiconductor, electron affinity is the ability or tendency to add or accept the electrons in conduction band (CB). The formation of n-type MoS\u003csub\u003e2\u003c/sub\u003e is achieved due to doping, which affects the Fermi level that results in changing of electron affinity (Rahman et al. 2019). Figure\u0026nbsp;\u003cspan refid=\"Fig3\" class=\"InternalRef\"\u003e3\u003c/span\u003e (a) and (b) show the current density v/s voltage (J-V) curve with respect to values of electron affinity of the material at two band-gaps of 1.8 eV (thickness\u0026thinsp;=\u0026thinsp;1 nm) and 1.3 eV (thickness\u0026thinsp;=\u0026thinsp;30 nm) respectively. The variation of electron affinity with the band-gap and thickness of materials for bulk and monolayer MoS\u003csub\u003e2\u003c/sub\u003e based heterojunction are given in Table-3. It is clearly seen from the table-3 that for bulk MoS\u003csub\u003e2\u003c/sub\u003e based heterojunction solar cells, the electron affinity changes from 4.0 eV to 4.7 eV at a band-gaps of 1.3 eV (thickness\u0026thinsp;=\u0026thinsp;30 nm), the solar cells efficiency increases from 7.6\u0026ndash;12.65% and again decreases upto 7.4% above the electron affinity of 4.35 eV. In case of monolayer MoS\u003csub\u003e2\u003c/sub\u003e based heterojunction solar cells, the electron affinity of n-MoS\u003csub\u003e2\u003c/sub\u003e varies between 4.0 eV to 4.7 eV; solar cell efficiency is obtained around 12% upto the electron affinity of 4.35 eV, above this again it decreases upto 9% at band-gap of 1.8 eV (thickness\u0026thinsp;=\u0026thinsp;1 nm) (Dubey et al. 2013).\u003c/p\u003e \u003cp\u003eThe results are given in Table \u003cspan refid=\"Tab3\" class=\"InternalRef\"\u003e3\u003c/span\u003e and this is evident that the monolayer MoS\u003csub\u003e2\u003c/sub\u003e based heterojunction solar cells is more efficient compared with bulk MoS\u003csub\u003e2\u003c/sub\u003e based heterojunction solar cells. In the MoS\u003csub\u003e2\u003c/sub\u003e/p-Si based solar device, MoS\u003csub\u003e2\u003c/sub\u003e with electron affinity of 4.35 eV, photon-generation of carriers in effortlessly occurs, which results in the highest efficiency nearly 12%.\u003c/p\u003e \u003cp\u003e \u003cdiv class=\"gridtable\"\u003e\u003ctable float=\"Yes\" id=\"Tab3\" border=\"1\"\u003e \u003ccaption language=\"En\"\u003e \u003cdiv class=\"CaptionNumber\"\u003eTable 3\u003c/div\u003e \u003cdiv class=\"CaptionContent\"\u003e \u003cp\u003eElectron affinity variation with band gap and thickness.\u003c/p\u003e \u003c/div\u003e \u003c/caption\u003e \u003ccolgroup cols=\"5\"\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c1\" colnum=\"1\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c2\" colnum=\"2\"\u003e\u003c/div\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c3\" colnum=\"3\"\u003e\u003c/div\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c4\" colnum=\"4\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c5\" colnum=\"5\"\u003e\u003c/div\u003e \u003cthead\u003e \u003ctr\u003e \u003cth align=\"left\" colname=\"c1\"\u003e\u0026nbsp;\u003c/th\u003e \u003cth align=\"left\" colname=\"c2\"\u003e \u003cp\u003eBand gap\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c3\"\u003e \u003cp\u003eElectron affinity\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c4\"\u003e \u003cp\u003eThickness of n-MoS\u003csub\u003e2\u003c/sub\u003e\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c5\"\u003e \u003cp\u003eη (%)\u003c/p\u003e \u003c/th\u003e \u003c/tr\u003e \u003c/thead\u003e \u003ctbody\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eIn Bulk\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e1.3\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003e4\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003e30 nm\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e7.68\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e1.3\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003e4.35\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003e30 nm\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e12.65\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e1.3\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003e4.7\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003e30 nm\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e7.44\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eIn monolayer\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e1.8\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003e4\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003e1nm\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e12.35\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e1.8\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003e4.35\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003e1nm\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e12.75\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e1.8\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003e4.7\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003e1nm\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e8.84\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003c/tbody\u003e \u003c/colgroup\u003e \u003c/table\u003e\u003c/div\u003e \u003c/p\u003e \u003cp\u003e \u003cdiv class=\"gridtable\"\u003e\u003ctable float=\"Yes\" id=\"Tab4\" border=\"1\"\u003e \u003ccaption language=\"En\"\u003e \u003cdiv class=\"CaptionNumber\"\u003eTable 4\u003c/div\u003e \u003cdiv class=\"CaptionContent\"\u003e \u003cp\u003eImpact of interfacial defect density on various device parameters.\u003c/p\u003e \u003c/div\u003e \u003c/caption\u003e \u003ccolgroup cols=\"5\"\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c1\" colnum=\"1\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c2\" colnum=\"2\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c3\" colnum=\"3\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c4\" colnum=\"4\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c5\" colnum=\"5\"\u003e\u003c/div\u003e \u003cthead\u003e \u003ctr\u003e \u003cth align=\"left\" colname=\"c1\"\u003e \u003cp\u003edefect at the interface [1/cm\u0026sup2;]\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c2\"\u003e \u003cp\u003eV\u003csub\u003eoc\u003c/sub\u003e (V)\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c3\"\u003e \u003cp\u003eJ\u003csub\u003esc\u003c/sub\u003e (mA/cm\u0026sup2;)\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c4\"\u003e \u003cp\u003eFF (%)\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c5\"\u003e \u003cp\u003eη (%)\u003c/p\u003e \u003c/th\u003e \u003c/tr\u003e \u003c/thead\u003e \u003ctbody\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e10\u003csup\u003e12\u003c/sup\u003e\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e0.42\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e43.50\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e68.64\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e12.55\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e10\u003csup\u003e13\u003c/sup\u003e\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e0.41\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e43.50\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e68.53\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e12.50\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e10\u003csup\u003e14\u003c/sup\u003e\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e0.41\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e43.49\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e67.55\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e12.13\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e10\u003csup\u003e15\u003c/sup\u003e\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e0.40\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e43.36\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e60.31\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e10.54\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e10\u003csup\u003e16\u003c/sup\u003e\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e0.33\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e42.14\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e55.35\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e7.88\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e10\u003csup\u003e17\u003c/sup\u003e\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e0.26\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e33.19\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e49.21\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e4.28\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003c/tbody\u003e \u003c/colgroup\u003e \u003c/table\u003e\u003c/div\u003e \u003c/p\u003e \u003c/div\u003e \u003cdiv id=\"Sec6\" class=\"Section2\"\u003e \u003ch2\u003e3.3. Effect of variation of interfacial defect on solar cell efficiency\u003c/h2\u003e \u003cp\u003eThe interface of the junction in heterojunction devices will have an interfacial defect which arises during the fabrication due to diffusion of ions (Danladi et al. 2023; Deng et al. 2017a). So, the interfacial defects have a significant role in the performance of solar cell. In the present investigation, we have also an interface between MoS\u003csub\u003e2\u003c/sub\u003e and Si and a defect is found at the interface. Figure\u0026nbsp;\u003cspan refid=\"Fig4\" class=\"InternalRef\"\u003e4\u003c/span\u003e (a) represents the J-V characteristic curve of heterojunction structure of bulk MoS\u003csub\u003e2\u003c/sub\u003e/p-Si device for different interfacial defect density which varies from 10\u003csup\u003e12\u003c/sup\u003e cm\u003csup\u003e\u0026minus;\u0026thinsp;2\u003c/sup\u003e to 10\u003csup\u003e17\u003c/sup\u003e cm\u003csup\u003e\u0026minus;\u0026thinsp;2\u003c/sup\u003e (Deng et al. 2017a). Table-4 obtained from numerical simulation depicts the effect of interface defect density with solar cell performance. It is found that solar cell efficiency decreases with increasing interfacial defect. The efficiency of the device is maximum 12% when the defect density is 10\u003csup\u003e12\u003c/sup\u003e cm\u003csup\u003e\u0026minus;\u0026thinsp;2\u003c/sup\u003e whereas the same device gives an efficiency of 4% when the interface defect density is 10\u003csup\u003e17\u003c/sup\u003e cm\u003csup\u003e\u0026minus;\u0026thinsp;2\u003c/sup\u003e. The reduction of efficiency is due to traps at the interface which recombine the electrons and holes (Deng et al. 2017a; Valeti et al. 2023b). In practice it is always advisable to reduce the interface defects to get higher efficiency. In Fig.\u0026nbsp;\u003cspan refid=\"Fig4\" class=\"InternalRef\"\u003e4\u003c/span\u003e (b), the variation of device efficiency with interfacial defects density. Density which forms 10\u003csup\u003e12\u003c/sup\u003e to 10\u003csup\u003e17\u003c/sup\u003e cm\u003csup\u003e\u0026minus;\u0026thinsp;2\u003c/sup\u003e which arise due to recombination of charge carried in the traps arising at interfacing defects. With the reduction of defects density in the device from 10\u003csup\u003e8\u003c/sup\u003e to 10\u003csup\u003e12\u003c/sup\u003e cm\u003csup\u003e\u0026minus;\u0026thinsp;2\u003c/sup\u003e is gives the high efficiency performance.\u003c/p\u003e \u003c/div\u003e \u003cdiv id=\"Sec7\" class=\"Section2\"\u003e \u003ch2\u003e3.4. Effect of various metal contact on heterojunction device performance\u003c/h2\u003e \u003cp\u003eThe effect of various metal contacts on heterojunction device performance plays a significant role in solar cell. The effect of different metals as back contacts such as aluminium (Al), chromium (Cr), silver (Ag), tantalum (Ta), titanium (Ti), and fluorine-doped tin oxide (FTO) are investigated with MoS\u003csub\u003e2\u003c/sub\u003e/p-Si based solar cell device with the combination of same or different metal contacts at front and rear side (Pradhan et al. 2016b; Prakash et al. 2024; Valeti et al. 2023a). The contact of metal-semiconductor materials and its work function plays a major role because it forms either ohmic contact or Schottky contact. The work function of MoS\u003csub\u003e2\u003c/sub\u003e and p-Si is nearly 5.20 eV and 4.85 eV, respectively (Choi et al. 2014). Figure\u0026nbsp;\u003cspan refid=\"Fig5\" class=\"InternalRef\"\u003e5\u003c/span\u003e shows the work function of different metals with their corresponding device efficiency while keeping the same material as front and back contact. The solar cell parameters such as work-function, V\u003csub\u003eoc\u003c/sub\u003e (V), J\u003csub\u003esc\u003c/sub\u003e (mA/cm\u003csup\u003e2\u003c/sup\u003e), FF (%) and η (%) obtained from the numerical simulation are listed in Table-5. Selection of perfect metal contact in heterojunction solar cells can help achieve high efficiency in devices because the performance of the solar cell depends on the work function of the metal contact (Deng et al. 2017a). It is observed from the Table\u0026nbsp;\u003cspan refid=\"Tab5\" class=\"InternalRef\"\u003e5\u003c/span\u003e that metal contacts made by either Cr or FTO gives higher efficiency than any other metals has been tested because it has also the work function energy lies nearer to the MoS\u003csub\u003e2\u003c/sub\u003e and p-Si semiconductor, giving better results due to formation of ohmic contact.\u003c/p\u003e \u003cp\u003e \u003cdiv class=\"gridtable\"\u003e\u003ctable float=\"Yes\" id=\"Tab5\" border=\"1\"\u003e \u003ccaption language=\"En\"\u003e \u003cdiv class=\"CaptionNumber\"\u003eTable 5\u003c/div\u003e \u003cdiv class=\"CaptionContent\"\u003e \u003cp\u003eEffect of homogeneous metal contact.\u003c/p\u003e \u003c/div\u003e \u003c/caption\u003e \u003ccolgroup cols=\"7\"\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c1\" colnum=\"1\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c2\" colnum=\"2\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c3\" colnum=\"3\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c4\" colnum=\"4\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c5\" colnum=\"5\"\u003e\u003c/div\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c6\" colnum=\"6\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c7\" colnum=\"7\"\u003e\u003c/div\u003e \u003cthead\u003e \u003ctr\u003e \u003cth align=\"left\" colname=\"c1\"\u003e \u003cp\u003eMetal Names\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c2\"\u003e \u003cp\u003eAl\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c3\"\u003e \u003cp\u003eCr\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c4\"\u003e \u003cp\u003eAg\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c5\"\u003e \u003cp\u003eTa\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c6\"\u003e \u003cp\u003eTi\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c7\"\u003e \u003cp\u003eFTO\u003c/p\u003e \u003c/th\u003e \u003c/tr\u003e \u003c/thead\u003e \u003ctbody\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eMetal Work Function (eV)\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e4.2\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e4.37\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e4.3\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e4.25\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c6\"\u003e \u003cp\u003e4.33\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e4.4\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eV\u003csub\u003eoc\u003c/sub\u003e (V)\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e0.24\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e0.42\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e0.34\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.30\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c6\"\u003e \u003cp\u003e0.38\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e0.44\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eJ\u003csub\u003esc\u003c/sub\u003e (mA/cm\u003csup\u003e2\u003c/sup\u003e)\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e43.49\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e43.51\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e43.50\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e43.50\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c6\"\u003e \u003cp\u003e43.51\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e43.51\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eFF (%)\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e57.58\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e69.01\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e66.04\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e61.28\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c6\"\u003e \u003cp\u003e67\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e71.14\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eη (%)\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e6.17\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e12.64\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e9.96\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e8.04\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c6\"\u003e \u003cp\u003e11.12\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e13.82\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003c/tbody\u003e \u003c/colgroup\u003e \u003c/table\u003e\u003c/div\u003e \u003c/p\u003e \u003cp\u003eFigure\u0026nbsp;\u003cspan refid=\"Fig5\" class=\"InternalRef\"\u003e5\u003c/span\u003e exhibits current density vs voltage (J-V) characteristic curve for different homogeneous metal contact in n-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si based heterojunction solar cell device. In the present work, we investigated the different combinations of metal contacts at front and back sides. The combination of heterostructure metal contacts with their solar cell performance is shown in Table\u0026nbsp;\u003cspan refid=\"Tab6\" class=\"InternalRef\"\u003e6\u003c/span\u003e. It is found the highest efficiency of 12% in device contact configuration of FTO/n-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si/Cr, Al/n-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si/Cr, Ti/n-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si/Cr, Ag/n-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si/Cr and Ta/n-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si/Cr (Pradhan et al. 2016a). FTO is nearly transparent and elective electrode which suitable for light can pass and enhance in the active layer for collection of photogenerated carriers. Whereas, Cr make good ohmic contract with the device which improve charge transfer in the interface junction also it depends the electrical property of MoS\u003csub\u003e2\u003c/sub\u003e (Borah et al. 2020; Parasuraman and Rathnakannan 2021; Salih Omar 2022).\u003c/p\u003e \u003cp\u003e \u003cdiv class=\"gridtable\"\u003e\u003ctable float=\"Yes\" id=\"Tab6\" border=\"1\"\u003e \u003ccaption language=\"En\"\u003e \u003cdiv class=\"CaptionNumber\"\u003eTable 6\u003c/div\u003e \u003cdiv class=\"CaptionContent\"\u003e \u003cp\u003eEffect of heterogeneous metal contact.\u003c/p\u003e \u003c/div\u003e \u003c/caption\u003e \u003ccolgroup cols=\"8\"\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c1\" colnum=\"1\"\u003e\u003c/div\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c2\" colnum=\"2\"\u003e\u003c/div\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c3\" colnum=\"3\"\u003e\u003c/div\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c4\" colnum=\"4\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c5\" colnum=\"5\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c6\" colnum=\"6\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c7\" colnum=\"7\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c8\" colnum=\"8\"\u003e\u003c/div\u003e \u003cthead\u003e \u003ctr\u003e \u003cth align=\"left\" colname=\"c1\"\u003e\u0026nbsp;\u003c/th\u003e \u003cth align=\"left\" colname=\"c2\"\u003e \u003cp\u003eFront Contact\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c3\"\u003e \u003cp\u003eJunction\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c4\"\u003e \u003cp\u003eBack Contact\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c5\"\u003e \u003cp\u003eV\u003csub\u003eoc\u003c/sub\u003e (V)\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c6\"\u003e \u003cp\u003eJ\u003csub\u003esc\u003c/sub\u003e (mA/cm\u003csup\u003e2\u003c/sup\u003e)\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c7\"\u003e \u003cp\u003eFF (%)\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c8\"\u003e \u003cp\u003eη (%)\u003c/p\u003e \u003c/th\u003e \u003c/tr\u003e \u003c/thead\u003e \u003ctbody\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e1\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003eFTO\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eAl\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.24\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.37\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e57.03\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e6.1\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e2\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eCr\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.42\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.50\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e68.87\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e12.63\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e3\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eTi\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.38\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.49\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e66.62\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e11.05\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e4\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eTa\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.30\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.43\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e60.81\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e7.97\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e5\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eAg\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.34\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.47\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e65.57\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e9.88\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e6\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003eAl\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eCr\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.42\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.54\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e69.53\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e12.77\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e7\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eTi\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.38\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.53\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e67.25\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e11.17\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e8\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eTa\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.30\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.52\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e61.32\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e8.05\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e9\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eAg\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.34\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.53\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e66.20\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e9.99\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e10\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003eCr\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eAl\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.24\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.40\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e57.04\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e6.1\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e11\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eTi\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.38\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.50\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e66.75\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e11.07\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e12\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eTa\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.30\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.45\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e60.92\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e7.97\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e13\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eAg\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.34\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.48\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e65.65\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e9.98\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e14\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003eTi\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eAl\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.24\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.44\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e57.35\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e6.14\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e15\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eCr\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.42\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.52\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e69.26\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e12.71\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e16\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eTa\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.30\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.48\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e61.16\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e8.02\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e17\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eAg\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.34\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.50\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e65.92\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e9.94\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e18\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003eTa\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eAl\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.24\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.48\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e57.55\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e6.17\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e19\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eCr\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.42\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.53\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e69.48\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e12.76\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e20\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eTi\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.38\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.52\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e67.21\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e11.17\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e21\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eAg\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.34\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.51\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e66.04\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e9.96\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e22\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003eAg\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eAl\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.24\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.45\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e57.46\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e6.16\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e23\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS2/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eCr\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.42\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.52\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e69.37\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e12.73\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e24\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS2/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eTi\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.38\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.51\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e67.10\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e11.15\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e25\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e\u0026nbsp;\u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003en-MoS2/p-Si\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eTa\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e0.30\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c6\"\u003e \u003cp\u003e43.48\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c7\"\u003e \u003cp\u003e61.21\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c8\"\u003e \u003cp\u003e8.03\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003c/tbody\u003e \u003c/colgroup\u003e \u003c/table\u003e\u003c/div\u003e \u003c/p\u003e \u003c/div\u003e \u003cdiv id=\"Sec8\" class=\"Section2\"\u003e \u003ch2\u003e3.5. Variation of temperature on solar cell performance\u003c/h2\u003e \u003cp\u003eThe effect of temperature on solar cell devices plays a crucial role because most of the solar cells' performance decays with increasing temperature. Practically a solar cell can be used in different regions with different temperatures (Dubey et al. 2013; Valeti et al. 2023b). Nowadays, temperature at the earth's surface is increasing day by day due to global warming. Temperature commonly has a negative effect on solar cell device, and when the temperature rise, their efficiency may reduce (Baro and Borgohain 2023). Therefore it is necessary to evaluate the device performance at a higher temperature. The numerical simulation of FTO/n-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si/Cr based heterojunction devices is carried out at different working temperatures from 300 K to 340K. Figure\u0026nbsp;\u003cspan refid=\"Fig6\" class=\"InternalRef\"\u003e6\u003c/span\u003e (a) shows the J-V characteristic curve of the device at different temperatures. Interestingly, it is found that no significant changes in the J-V characteristic curve, which represent higher electrical and thermal stability over other material. The device efficiency is almost constant to 12% and decreases down slowly. Because of higher internal carrier recombination rates at higher temperatures, MoS\u003csub\u003e2\u003c/sub\u003e based solar cells shows less efficiency (Dubey et al. 2013). Figure\u0026nbsp;\u003cspan refid=\"Fig6\" class=\"InternalRef\"\u003e6\u003c/span\u003e (b) shows the fill factor and efficiency of the heterojunction device at different temperatures. This device can work better at the high temperature regions like the Indian sub-continent or tropical region. Higher operating temperatures often have an impact on a material\u0026rsquo;s electrical characteristics, including bandgap, conductivity, resistivity, and mobility. They can also lower J\u003csub\u003esc\u003c/sub\u003e, V\u003csub\u003eoc\u003c/sub\u003e, FF, η, Which can restrict or affect overall performance (Baro and Borgohain 2023).\u003c/p\u003e \u003c/div\u003e \u003cdiv id=\"Sec9\" class=\"Section2\"\u003e \u003ch2\u003e3.6. Variation of series and shunt resistance on solar cell performance\u003c/h2\u003e \u003cp\u003eSolar cells are fabricated with different layers like metal contact, p-type and n-type layer, it also form interfaces. Due to stacking of various contacts, there will be a formation of series resistance and shunt resistance in the devices (Srivastava et al. 2022; Upadhyay and Singh 2023; Valeti et al. 2023b).\u003c/p\u003e \u003cp\u003eIn the electronics devices resistance is not an ignorable parameter. So it needs to consider and simulate the impact of solar cell performance with series resistance (R\u003csub\u003es\u003c/sub\u003e) and shunt resistance (R\u003csub\u003esh\u003c/sub\u003e). In solar device series resistance is zero ideally, for real world application variation of series resistance essential. Table\u0026nbsp;\u003cspan refid=\"Tab7\" class=\"InternalRef\"\u003e7\u003c/span\u003e shows the effect of variation of series resistance (change from 0 to 15 ohm-cm\u003csup\u003e2\u003c/sup\u003e) with different device performance parameters. From the Fig.\u0026nbsp;\u003cspan refid=\"Fig7\" class=\"InternalRef\"\u003e7\u003c/span\u003e (a) showing that the V\u003csub\u003eoc\u003c/sub\u003e is independent of R\u003csub\u003es\u003c/sub\u003e but J\u003csub\u003esc\u003c/sub\u003e decreases as an increase in R\u003csub\u003es\u003c/sub\u003e because of impedance present due to rise in series resistance which opposes the carrier flow (Upadhyay and Singh 2023). As a result, the fill factor and efficiency decrease with increasing series resistance, which is shown in Fig.\u0026nbsp;\u003cspan refid=\"Fig7\" class=\"InternalRef\"\u003e7\u003c/span\u003e (b). Output power is getting less in devices as increasing in series resistance. So series resistance R\u003csub\u003es\u003c/sub\u003e has a noticeable effect on the efficiency of the devices.\u003c/p\u003e \u003cp\u003e \u003cdiv class=\"gridtable\"\u003e\u003ctable float=\"Yes\" id=\"Tab7\" border=\"1\"\u003e \u003ccaption language=\"En\"\u003e \u003cdiv class=\"CaptionNumber\"\u003eTable 7\u003c/div\u003e \u003cdiv class=\"CaptionContent\"\u003e \u003cp\u003eEffect of series resistance of solar cell.\u003c/p\u003e \u003c/div\u003e \u003c/caption\u003e \u003ccolgroup cols=\"5\"\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c1\" colnum=\"1\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c2\" colnum=\"2\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c3\" colnum=\"3\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c4\" colnum=\"4\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c5\" colnum=\"5\"\u003e\u003c/div\u003e \u003cthead\u003e \u003ctr\u003e \u003cth align=\"left\" colname=\"c1\"\u003e \u003cp\u003eSeries Resistance (Rs)\u003c/p\u003e \u003cp\u003e(Ohm -cm\u003csup\u003e2\u003c/sup\u003e)\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c2\"\u003e \u003cp\u003eV\u003csub\u003eoc\u003c/sub\u003e (V)\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c3\"\u003e \u003cp\u003eJ\u003csub\u003esc\u003c/sub\u003e (mA/cm\u003csup\u003e2\u003c/sup\u003e)\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c4\"\u003e \u003cp\u003eFF (%)\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c5\"\u003e \u003cp\u003eη (%)\u003c/p\u003e \u003c/th\u003e \u003c/tr\u003e \u003c/thead\u003e \u003ctbody\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e0\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e0.41\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e43.50\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e68.31\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e12.46\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e1\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e0.41\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e43.49\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e59.96\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e10.93\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e5\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e0.41\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e43.21\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e34.19\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e6.19\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e10\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e0.41\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e34.25\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e25.12\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e3.60\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e15\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e0.41\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e24.58\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e18.06\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e1.86\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003c/tbody\u003e \u003c/colgroup\u003e \u003c/table\u003e\u003c/div\u003e \u003c/p\u003e \u003cp\u003eAlso shunt resistance shows a big impact in solar devices in the recombination process due to defects in it. As decrease in defect, the shunt resistance (R\u003csub\u003esh\u003c/sub\u003e) increases respectively. R\u003csub\u003esh\u003c/sub\u003e is infinite ideally, so required to simulate the impact of solar devices. Table\u0026nbsp;\u003cspan refid=\"Tab8\" class=\"InternalRef\"\u003e8\u003c/span\u003e shows the variation of R\u003csub\u003esh\u003c/sub\u003e from 50 to 900 ohm-cm\u003csup\u003e2\u003c/sup\u003e with other performance of solar cells. From the Fig.\u0026nbsp;\u003cspan refid=\"Fig7\" class=\"InternalRef\"\u003e7\u003c/span\u003e (c) it shows that V\u003csub\u003eoc\u003c/sub\u003e of devices increases with the increase of R\u003csub\u003esh\u003c/sub\u003e and J\u003csub\u003esc\u003c/sub\u003e remains constant. Shut resistance affects the light generation current in devices which causes a decrease in the V\u003csub\u003eoc\u003c/sub\u003e. Figure\u0026nbsp;\u003cspan refid=\"Fig7\" class=\"InternalRef\"\u003e7\u003c/span\u003e (d) shows fill factor and Efficiency rapidly increases as R\u003csub\u003esh\u003c/sub\u003e rises due to less leakage current, this improves the output of solar cells.\u003c/p\u003e \u003cp\u003e \u003cdiv class=\"gridtable\"\u003e\u003ctable float=\"Yes\" id=\"Tab8\" border=\"1\"\u003e \u003ccaption language=\"En\"\u003e \u003cdiv class=\"CaptionNumber\"\u003eTable 8\u003c/div\u003e \u003cdiv class=\"CaptionContent\"\u003e \u003cp\u003eEffect of shunt resistance of solar cell.\u003c/p\u003e \u003c/div\u003e \u003c/caption\u003e \u003ccolgroup cols=\"5\"\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c1\" colnum=\"1\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c2\" colnum=\"2\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c3\" colnum=\"3\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c4\" colnum=\"4\"\u003e\u003c/div\u003e \u003cdiv align=\"char\" char=\".\" class=\"colspec\" colname=\"c5\" colnum=\"5\"\u003e\u003c/div\u003e \u003cthead\u003e \u003ctr\u003e \u003cth align=\"left\" colname=\"c1\"\u003e \u003cp\u003eShunt Resistance (R\u003csub\u003esh\u003c/sub\u003e)\u003c/p\u003e \u003cp\u003e(Ohm -cm\u003csup\u003e2\u003c/sup\u003e)\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c2\"\u003e \u003cp\u003eV\u003csub\u003eoc\u003c/sub\u003e (V)\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c3\"\u003e \u003cp\u003eJ\u003csub\u003esc\u003c/sub\u003e (mA/cm\u003csup\u003e2\u003c/sup\u003e)\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c4\"\u003e \u003cp\u003eFF (%)\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c5\"\u003e \u003cp\u003eη (%)\u003c/p\u003e \u003c/th\u003e \u003c/tr\u003e \u003c/thead\u003e \u003ctbody\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e50\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e0.40\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e43.50\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e60.15\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e10.53\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e100\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e0.41\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e43.50\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e64.26\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e11.48\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e300\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e0.41\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e43.50\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e66.96\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e12.13\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e600\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e0.41\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e43.50\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e67.64\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e12.29\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003e900\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c2\"\u003e \u003cp\u003e0.41\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c3\"\u003e \u003cp\u003e43.50\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c4\"\u003e \u003cp\u003e67.86\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"char\" char=\".\" colname=\"c5\"\u003e \u003cp\u003e12.35\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003c/tbody\u003e \u003c/colgroup\u003e \u003c/table\u003e\u003c/div\u003e \u003c/p\u003e \u003c/div\u003e \u003cdiv id=\"Sec10\" class=\"Section2\"\u003e \u003ch2\u003e3.7. Energy band diagram\u003c/h2\u003e \u003cp\u003eThe electrical functioning of solar cells can be understood by the energy band diagram of heterojunction devices, which explain electron position in different energy levels in the cell and describe how light interacts, and converts into electrical energy. Figure\u0026nbsp;8 represents the separation between the valency band (where electrons are present in bound) and conduction band (where electrons can move freely and conduct electricity). When light incident on the device, the electron is excited from valence band to conduction band, and then generates electric current by flow of electrons. To analyse the performance efficiency of solar cells, pair generation and recombination or other factor can be understood by an energy band diagram.\u003c/p\u003e \u003cp\u003eThe best efficiency achieved for the FTO/MoS\u003csub\u003e2\u003c/sub\u003e/p-Si/Cr combination is compared with the previously reported experimental work and given as the Table\u0026nbsp;\u003cspan refid=\"Tab9\" class=\"InternalRef\"\u003e9\u003c/span\u003e. It can be seen that our simulation results are comparable to the experimental work.\u003c/p\u003e \u003cp\u003e \u003cdiv class=\"gridtable\"\u003e\u003ctable float=\"Yes\" id=\"Tab9\" border=\"1\"\u003e \u003ccaption language=\"En\"\u003e \u003cdiv class=\"CaptionNumber\"\u003eTable 9\u003c/div\u003e \u003cdiv class=\"CaptionContent\"\u003e \u003cp\u003eComparison between designed work and reported work.\u003c/p\u003e \u003c/div\u003e \u003c/caption\u003e \u003ccolgroup cols=\"4\"\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c1\" colnum=\"1\"\u003e\u003c/div\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c2\" colnum=\"2\"\u003e\u003c/div\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c3\" colnum=\"3\"\u003e\u003c/div\u003e \u003cdiv align=\"left\" class=\"colspec\" colname=\"c4\" colnum=\"4\"\u003e\u003c/div\u003e \u003cthead\u003e \u003ctr\u003e \u003cth align=\"left\" colname=\"c1\"\u003e \u003cp\u003eDevice Structure\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c2\"\u003e \u003cp\u003eη (%)\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c3\"\u003e \u003cp\u003eStudy type\u003c/p\u003e \u003c/th\u003e \u003cth align=\"left\" colname=\"c4\"\u003e \u003cp\u003eReferences\u003c/p\u003e \u003c/th\u003e \u003c/tr\u003e \u003c/thead\u003e \u003ctbody\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eITO/MoS\u003csub\u003e2\u003c/sub\u003e/p-Si/Ag\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e9.81%\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003eExperimental\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003e(Huang et al. 2022)\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eAl/n-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si/Cr/Ag\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e5.23%\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003eExperimental\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003e(Tsai et al. 2014)\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eAg/n-MoS\u003csub\u003e2\u003c/sub\u003e/AIN/p-Si/Ag\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e3.53%\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003eExperimental\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003e(Kumar et al. 2020)\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eCr/MoS\u003csub\u003e2\u003c/sub\u003e/Si/Cr\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e4.5%\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003eExperimental\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003e(Pradhan et al. 2016a)\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003ctr\u003e \u003ctd align=\"left\" colname=\"c1\"\u003e \u003cp\u003eFTO/MoS\u003csub\u003e2\u003c/sub\u003e/p-Si/Cr\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c2\"\u003e \u003cp\u003e12%\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c3\"\u003e \u003cp\u003eSimulation\u003c/p\u003e \u003c/td\u003e \u003ctd align=\"left\" colname=\"c4\"\u003e \u003cp\u003eThis work\u003c/p\u003e \u003c/td\u003e \u003c/tr\u003e \u003c/tbody\u003e \u003c/colgroup\u003e \u003c/table\u003e\u003c/div\u003e \u003c/p\u003e \u003c/div\u003e"},{"header":"4. CONCLUSIONS","content":"\u003cp\u003eHere, we have designed and evaluated the performance of MoS\u003csub\u003e2\u003c/sub\u003e-based solar cells by varying the active layer\u0026rsquo;s thickness, which leads to the change in the band gap, variation in the electron affinity. The performance of device is also examined by varying the homogeneous and heterogeneous metal contacts, change in interfacial defect density. The best combinations of different parameters give an efficiency of 12%, which is sufficiently high enough as compared to experimentally reported results. This study will provide basic insight into the development of high-performance solar cells and photodetector with 2D materials.\u003c/p\u003e"},{"header":"Declarations","content":"\u003cp\u003e\u003cstrong\u003eFunding Declaration\u003c/strong\u003e\u003c/p\u003e\n\u003cp\u003eThere was no funding.\u003c/p\u003e\u003ch2\u003eAuthor Contribution\u003c/h2\u003e\u003cp\u003eRitishri Priyaranjan Pradhan : Data curation, Formal analysis, Visualization, Investigation, Methodology, Writing original draft, Writing - review \u0026amp; editing, Software.Sheo Kumar Mishra : Formal analysis, Writing - review \u0026amp; editing.Monoj Kumar Singha: Formal analysis, Writing - review \u0026amp; editing, Software.Arvind Kumar: Conceptualization, Resources, Supervision.\u003c/p\u003e\u003ch2\u003eAcknowledgement\u003c/h2\u003e\u003cp\u003eThe authors thankfully acknowledge Dr. Marc Bargeman and his team, University of Gent, Belgium, for providing the SCAPS simulation software\u003c/p\u003e\u003ch2\u003eData Availability\u003c/h2\u003e\u003cp\u003eData was provided upon request.\u003c/p\u003e"},{"header":"References","content":"\u003col\u003e\n\u003cli\u003eAlali, A.S.: Enhancing Organic Photodetector Performance Based on PBDB-T / ITIC and GO : A SCAPS-1D Simulation Study Based on PBDB-T / ITIC and GO : A SCAPS-1D. 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RSC Adv. 6, 110604\u0026ndash;110609 (2016). https://doi.org/10.1039/C6RA22496B\u003c/li\u003e\n\u003c/ol\u003e"}],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":true,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":false,"hideJournal":true,"highlight":"","institution":"","isAcceptedByJournal":false,"isAuthorSuppliedPdf":false,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":false,"isPdf":false,"isPdfUpToDate":true,"isWithdrawnOrRetracted":false,"journal":{"display":true,"email":"[email protected]","identity":"researchsquare","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":true,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"/submission","title":"Research Square","twitterHandle":"researchsquare","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"","reportingPortfolio":"","inReviewEnabled":false,"inReviewRevisionsEnabled":true},"keywords":"Solar Cell, SCAPS-1D, Optoelectronic, MoS2, Defect, and Efficiency","lastPublishedDoi":"10.21203/rs.3.rs-5909500/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-5909500/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eSustainable, green, clean energy sources based electrical energy conversion is essential to the modern world. A solar cell or photovoltaic cell acts as a major part of that to accomplish the energy interest. Two-dimensional materials such as Molybdenum disulphide (MoS\u003csub\u003e2\u003c/sub\u003e) based heterojunction solar cells attracted researchers for their extraordinary chemical, physical, thermal, mechanical, optical, and electrical stability. In this work, we simulated the electrical behavior of n-MoS\u003csub\u003e2\u003c/sub\u003e/p-Si-based heterojunction-based solar cells with the help of the Solar Cell Capacitance Simulator - One Dimensional (SCAPS-1D) simulation tool. We examine the performance of MoS\u003csub\u003e2\u003c/sub\u003e-based solar cells by varying the active layer\u0026rsquo;s thickness, which leads to the changing of the band gap variation in the electron affinity, and explore the performance of devices with different metal contacts. The impact of interfacial defect density, series, and shunt resistance is also evaluated on various working temperatures of the devices. The best combinations of different parameters give an efficiency (η) of 12%, which is sufficiently high enough compared to the previously published experimental work. This will provide essential insight into the development of high-performance solar cells with two dimensional (2D) materials.\u003c/p\u003e","manuscriptTitle":"Design and performance analysis of n-MoS 2 /p-Si heterojunction solar cell for emerging optoelectronic applications","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2025-01-30 08:06:07","doi":"10.21203/rs.3.rs-5909500/v1","editorialEvents":[{"type":"communityComments","content":0}],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"researchsquare","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":true,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"/submission","title":"Research Square","twitterHandle":"researchsquare","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"","reportingPortfolio":"","inReviewEnabled":false,"inReviewRevisionsEnabled":true}}],"origin":"","ownerIdentity":"80993f68-9c31-4397-bfe2-af467c0108cc","owner":[],"postedDate":"January 30th, 2025","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"posted","subjectAreas":[],"tags":[],"updatedAt":"2025-02-08T17:08:18+00:00","versionOfRecord":[],"versionCreatedAt":"2025-01-30 08:06:07","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-5909500","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-5909500","identity":"rs-5909500","version":["v1"]},"buildId":"8U1c8b4HqxoKbykW_rLl7","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}