Design and Numerical Simulation of CuBi2O4 SCs with GQDs as Hole Transport Layer: Ideal and Non-ideal Conditions

Design and Numerical Simulation of CuBi2O4 SCs with GQDs as Hole Transport Layer: Ideal and Non-ideal Conditions | 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 Article Design and Numerical Simulation of CuBi 2 O 4 SCs with GQDs as Hole Transport Layer: Ideal and Non-ideal Conditions Muhammad Panachikkool, Aparna E T, Perumal Asaithambi, T. Pandiyarajan This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-4884648/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 02 Jan, 2025 Read the published version in Scientific Reports → Version 1 posted 12 You are reading this latest preprint version Abstract The simulation of ideal and non-ideal conditions using the SCAPS-1D simulator for novel structure Ag/FTO/CuBi 2 O 4 /GQD/Au was done for the first time. The recombination of charge carriers in CuBi 2 O 4 is an inherent problem due to very low hole mobility and polaron transport in the valence band. The in-depth analysis of the simulation result revealed that GQDs can act as an appropriate hole transport layer (HTL) and can enhance the hole transportation. The simulation was done under ideal and nonideal conditions. The non-ideal conditions include parasitic resistances, reflection losses, radiative, and Auger recombination whereas the ideal condition was studied without the inclusion of any losses. Under ideal conditions, the cell Ag/FTO/CuBi 2 O 4 /GQD/Au exhibited a photovoltaic (PV) parameter such as open circuit voltage (V oc ), short circuit current (J sc ), fill factor (FF), photo conversion efficiency (PCE) are 1.39V, 25.898 mA/cm 2 , 90.92%, and 32.79%, respectively. The effect of various cell parameters such as the thickness of the absorber layer, HTL layer, and FTO, acceptor and defect density, the bandgap of the absorber and HTL layer, series and shunt resistance, back and front contact materials, radiation and Auger recombination of the absorber layer, reflection losses on the efficiency of the proposed cell is analysed. The drastic reduction in all PV parameters was observed under non-ideal conditions and the PV parameters are V oc (1.22V), J sc (2.904 mA/cm 2 ), FF (86.3), and PCE of 3.06%. The charge kinetics such as impedance, conductivity, and capacitance plots, and possible reasons for reductions in PV parameters are discussed in detail. Physical sciences/Energy science and technology Physical sciences/Energy science and technology/Renewable energy Physical sciences/Energy science and technology/Renewable energy/Solar energy Physical sciences/Energy science and technology/Renewable energy/Solar energy/Photovoltaics Physical sciences/Energy science and technology/Renewable energy/Solar energy/Photovoltaics/Solar cells Solar cell SCAPS 1D simulator CuBi2O4 GQDs Full Text Additional Declarations No competing interests reported. Cite Share Download PDF Status: Published Journal Publication published 02 Jan, 2025 Read the published version in Scientific Reports → Version 1 posted Editorial decision: Revision requested 25 Nov, 2024 Reviews received at journal 23 Nov, 2024 Reviewers agreed at journal 12 Nov, 2024 Reviews received at journal 10 Oct, 2024 Reviews received at journal 19 Sep, 2024 Reviewers agreed at journal 19 Sep, 2024 Reviewers agreed at journal 18 Sep, 2024 Reviewers invited by journal 18 Sep, 2024 Editor assigned by journal 18 Sep, 2024 Editor invited by journal 20 Aug, 2024 Submission checks completed at journal 19 Aug, 2024 First submitted to journal 09 Aug, 2024 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. Our growing team is made up of researchers and industry professionals working together to solve the most critical problems facing scientific publishing. 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-4884648","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":353258488,"identity":"7550aa86-aa9d-4a52-96de-3ef2bbb0c127","order_by":0,"name":"Muhammad Panachikkool","email":"","orcid":"","institution":"Indian Institute of Information Technology Design and Manufacturing Kurnool","correspondingAuthor":false,"prefix":"","firstName":"Muhammad","middleName":"","lastName":"Panachikkool","suffix":""},{"id":353258492,"identity":"b1350705-2999-46ed-92b1-d46e281ff304","order_by":1,"name":"Aparna E T","email":"","orcid":"","institution":"Indian Institute of Information Technology Design and Manufacturing Kurnool","correspondingAuthor":false,"prefix":"","firstName":"Aparna","middleName":"E","lastName":"T","suffix":""},{"id":353258493,"identity":"5dda3ee6-cde4-4b0b-8e4f-761d73b79c12","order_by":2,"name":"Perumal Asaithambi","email":"data:image/png;base64,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","orcid":"","institution":"Jimma Institute of Technology, Jimma University","correspondingAuthor":true,"prefix":"","firstName":"Perumal","middleName":"","lastName":"Asaithambi","suffix":""},{"id":353258495,"identity":"2775d3a9-cebc-4b40-9c70-a3149351e6d7","order_by":3,"name":"T. Pandiyarajan","email":"","orcid":"","institution":"Indian Institute of Information Technology Design and Manufacturing Kurnool","correspondingAuthor":false,"prefix":"","firstName":"T.","middleName":"","lastName":"Pandiyarajan","suffix":""}],"badges":[],"createdAt":"2024-08-09 06:03:50","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-4884648/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-4884648/v1","draftVersion":[],"editorialEvents":[{"content":"https://doi.org/10.1038/s41598-024-83700-0","type":"published","date":"2025-01-02T15:57:49+00:00"}],"editorialNote":"","failedWorkflow":false,"files":[{"id":73093402,"identity":"3857f8c8-04ca-4e42-bd01-10a401cc7bce","added_by":"auto","created_at":"2025-01-06 16:17:11","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":1365866,"visible":true,"origin":"","legend":"","description":"","filename":"Manuscriptrevised.pdf","url":"https://assets-eu.researchsquare.com/files/rs-4884648/v1_covered_380905e3-1f05-4ab9-8dbc-9c6d39ab1657.pdf"}],"financialInterests":"No competing interests reported.","formattedTitle":"\u003cp\u003e\u003cstrong\u003eDesign and Numerical Simulation of CuBi\u003c/strong\u003e\u003csub\u003e\u003cstrong\u003e2\u003c/strong\u003e\u003c/sub\u003e\u003cstrong\u003eO\u003c/strong\u003e\u003csub\u003e\u003cstrong\u003e4\u003c/strong\u003e\u003c/sub\u003e\u003cstrong\u003e SCs with GQDs as Hole Transport Layer: Ideal and Non-ideal Conditions\u003c/strong\u003e\u003c/p\u003e","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":false,"hideJournal":false,"highlight":"","institution":"","isAcceptedByJournal":true,"isAuthorSuppliedPdf":true,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":false,"isPdf":true,"isPdfUpToDate":true,"isWithdrawnOrRetracted":false,"journal":{"display":true,"email":"[email protected]","identity":"scientific-reports","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":false,"externalIdentity":"scirep","sideBox":"Learn more about [Scientific Reports](http://www.nature.com/srep/)","snPcode":"","submissionUrl":"","title":"Scientific Reports","twitterHandle":"","acdcEnabled":true,"dfaEnabled":true,"editorialSystem":"stoa","reportingPortfolio":"Scientific Reports","inReviewEnabled":true,"inReviewRevisionsEnabled":true},"keywords":"Solar cell, SCAPS 1D simulator, CuBi2O4, GQDs","lastPublishedDoi":"10.21203/rs.3.rs-4884648/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-4884648/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eThe simulation of ideal and non-ideal conditions using the SCAPS-1D simulator for novel structure Ag/FTO/CuBi\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e4\u003c/sub\u003e/GQD/Au was done for the first time. The recombination of charge carriers in CuBi\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e4\u003c/sub\u003e is an inherent problem due to very low hole mobility and polaron transport in the valence band. The in-depth analysis of the simulation result revealed that GQDs can act as an appropriate hole transport layer (HTL) and can enhance the hole transportation. The simulation was done under ideal and nonideal conditions. The non-ideal conditions include parasitic resistances, reflection losses, radiative, and Auger recombination whereas the ideal condition was studied without the inclusion of any losses. Under ideal conditions, the cell Ag/FTO/CuBi\u003csub\u003e2\u003c/sub\u003eO\u003csub\u003e4\u003c/sub\u003e/GQD/Au exhibited a photovoltaic (PV) parameter such as open circuit voltage (V\u003csub\u003eoc\u003c/sub\u003e), short circuit current (J\u003csub\u003esc\u003c/sub\u003e), fill factor (FF), photo conversion efficiency (PCE) are 1.39V, 25.898 mA/cm\u003csup\u003e2\u003c/sup\u003e, 90.92%, and 32.79%, respectively. The effect of various cell parameters such as the thickness of the absorber layer, HTL layer, and FTO, acceptor and defect density, the bandgap of the absorber and HTL layer, series and shunt resistance, back and front contact materials, radiation and Auger recombination of the absorber layer, reflection losses on the efficiency of the proposed cell is analysed. The drastic reduction in all PV parameters was observed under non-ideal conditions and the PV parameters are V\u003csub\u003eoc\u003c/sub\u003e (1.22V), J\u003csub\u003esc\u003c/sub\u003e (2.904 mA/cm\u003csup\u003e2\u003c/sup\u003e), FF (86.3), and PCE of 3.06%. The charge kinetics such as impedance, conductivity, and capacitance plots, and possible reasons for reductions in PV parameters are discussed in detail.\u003c/p\u003e","manuscriptTitle":"Design and Numerical Simulation of CuBi2O4 SCs with GQDs as Hole Transport Layer: Ideal and Non-ideal Conditions","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2024-09-16 13:25:26","doi":"10.21203/rs.3.rs-4884648/v1","editorialEvents":[{"type":"communityComments","content":0},{"type":"decision","content":"Revision requested","date":"2024-11-25T11:06:39+00:00","index":"","fulltext":""},{"type":"editorInvitedReview","content":"","date":"2024-11-23T07:52:21+00:00","index":"hide","fulltext":""},{"type":"reviewerAgreed","content":"312574230386710237604661773210052963360","date":"2024-11-12T12:44:23+00:00","index":"hide","fulltext":""},{"type":"editorInvitedReview","content":"","date":"2024-10-10T07:44:46+00:00","index":"hide","fulltext":""},{"type":"editorInvitedReview","content":"","date":"2024-09-19T09:27:03+00:00","index":"hide","fulltext":""},{"type":"reviewerAgreed","content":"338272383874729112836033283139601524602","date":"2024-09-19T09:11:00+00:00","index":"hide","fulltext":""},{"type":"reviewerAgreed","content":"313463146848754058565661930053566844724","date":"2024-09-19T03:58:31+00:00","index":"hide","fulltext":""},{"type":"reviewersInvited","content":"","date":"2024-09-19T03:52:10+00:00","index":"","fulltext":""},{"type":"editorAssigned","content":"","date":"2024-09-19T03:46:56+00:00","index":"","fulltext":""},{"type":"editorInvited","content":"","date":"2024-08-21T03:59:12+00:00","index":"","fulltext":""},{"type":"checksComplete","content":"","date":"2024-08-19T09:11:59+00:00","index":"","fulltext":""},{"type":"submitted","content":"Scientific Reports","date":"2024-08-09T06:02:35+00:00","index":"","fulltext":""}],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"scientific-reports","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":false,"externalIdentity":"scirep","sideBox":"Learn more about [Scientific Reports](http://www.nature.com/srep/)","snPcode":"","submissionUrl":"","title":"Scientific Reports","twitterHandle":"","acdcEnabled":true,"dfaEnabled":true,"editorialSystem":"stoa","reportingPortfolio":"Scientific Reports","inReviewEnabled":true,"inReviewRevisionsEnabled":true}}],"origin":"","ownerIdentity":"2096ab99-d3e7-4d91-8575-6ea740cf8643","owner":[],"postedDate":"September 16th, 2024","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"published-in-journal","subjectAreas":[{"id":37699111,"name":"Physical sciences/Energy science and technology"},{"id":37699112,"name":"Physical sciences/Energy science and technology/Renewable energy"},{"id":37699113,"name":"Physical sciences/Energy science and technology/Renewable energy/Solar energy"},{"id":37699114,"name":"Physical sciences/Energy science and technology/Renewable energy/Solar energy/Photovoltaics"},{"id":37699115,"name":"Physical sciences/Energy science and technology/Renewable energy/Solar energy/Photovoltaics/Solar cells"}],"tags":[],"updatedAt":"2025-01-06T16:03:51+00:00","versionOfRecord":{"articleIdentity":"rs-4884648","link":"https://doi.org/10.1038/s41598-024-83700-0","journal":{"identity":"scientific-reports","isVorOnly":false,"title":"Scientific Reports"},"publishedOn":"2025-01-02 15:57:49","publishedOnDateReadable":"January 2nd, 2025"},"versionCreatedAt":"2024-09-16 13:25:26","video":"","vorDoi":"10.1038/s41598-024-83700-0","vorDoiUrl":"https://doi.org/10.1038/s41598-024-83700-0","workflowStages":[]},"version":"v1","identity":"rs-4884648","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-4884648","identity":"rs-4884648","version":["v1"]},"buildId":"qtupq5eGEP_6zYnWcrvyt","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}