Self-supported Fe-doped Ni3S2/NiPx heterojunction electrocatalyst with optimized electronic structure for efficient electrocatalytic overall water splitting

Self-supported Fe-doped Ni3S2/NiPx heterojunction electrocatalyst with optimized electronic structure for efficient electrocatalytic overall water splitting | Authorea try { document.documentElement.classList.add('js'); } catch (e) { } var _gaq = _gaq || []; _gaq.push(['_setAccount', 'G-8VDV14Y67G']); _gaq.push(['_trackPageview']); (function() { var ga = document.createElement('script'); ga.type = 'text/javascript'; ga.async = true; ga.src = ('https:' == document.location.protocol ? 'https://ssl' : 'http://www') + '.google-analytics.com/ga.js'; var s = document.getElementsByTagName('script')[0]; s.parentNode.insertBefore(ga, s); })(); Skip to main content Preprints Collections Wiley Open Research IET Open Research Ecological Society of Japan All Collections About About Authorea FAQs Contact Us Quick Search anywhere Search for preprint articles, keywords, etc. Search Search ADVANCED SEARCH SCROLL Chinese Journal of Chemistry This is a preprint and has not been peer reviewed. Data may be preliminary. 8 July 2025 V1 Latest version Share on Self-supported Fe-doped Ni3S2/NiPx heterojunction electrocatalyst with optimized electronic structure for efficient electrocatalytic overall water splitting Authors : Jing Zhang , Meiling Sun , Yingnan Jiang , Yuwen Su , Tong Zhao , Qing Lu , and Guangchao Yin [email protected] Authors Info & Affiliations https://doi.org/10.22541/au.175196031.10634663/v1 Published Chinese Journal of Chemistry Version of record Peer review timeline 280 views 136 downloads Contents Abstract Supplementary Material Information & Authors Metrics & Citations View Options References Figures Tables Media Share Abstract Designing bifunctional electrocatalysts with high activity, durability and low-cost is a top priority to advance the hydrogen energy industry. Herein, self-supported Fe-doped Ni 3 S 2 /NiP x heterojunction electrocatalysts were synthesized via a simple hydrothermal and phosphorylated method. Benefiting from the unique nanowire morphology, abundant heterojunction interface and optimized electronic structure, it requires only low overpotentials of 263 and 173 mV at 100 mA cm -2 current density to achieve oxygen evolution reaction and hydrogen evolution reaction in 1 M KOH solution, respectively, with excellent stability of 300 and 150 h. In addition, in situ Raman and in situ EIS demonstrated that Fe doping accelerated the surface remodelling of the catalysts, enhances electron transport efficiency, thereby enhancing the activity and stability. Remarkably, Fe-doped Ni 3 S 2 /NiP x electrocatalysts are assembled as both anode and cathode to achieve a current density of 100 mA cm -2 in 1 M KOH and simulated seawater solution by requiring only low cell voltages of 1.517 and 1.561 V, and the loss is negligible in the 200 h endurance test. DEMS signals and density functional theory further demonstrate the intrinsic mechanism of the catalysts, doping engineering and heterogeneous interfaces can effectively reduce the energy barrier of rate-determining step and accelerate catalytic overall water splitting. Supplementary Material File (manuscript.doc) Download 78.37 MB Information & Authors Information Version history V1 Version 1 08 July 2025 Peer review timeline Published Chinese Journal of Chemistry Version of Record 9 Sep 2025 Published Copyright This work is licensed under a Non Exclusive No Reuse License. Collection Chinese Journal of Chemistry Keywords dft doping engineering electronic structure hetero-structure overall water splitting supported catalysts Authors Affiliations Jing Zhang Shandong University of Technology View all articles by this author Meiling Sun Shandong University of Technology View all articles by this author Yingnan Jiang Shandong University of Technology View all articles by this author Yuwen Su Shandong University of Technology View all articles by this author Tong Zhao Shandong University of Technology View all articles by this author Qing Lu Shandong University of Technology View all articles by this author Guangchao Yin [email protected] Shandong University of Technology View all articles by this author Metrics & Citations Metrics Article Usage 280 views 136 downloads .FvxKWukQNSOunydq8rnd { width: 100px; } Citations Download citation Jing Zhang, Meiling Sun, Yingnan Jiang, et al. Self-supported Fe-doped Ni3S2/NiPx heterojunction electrocatalyst with optimized electronic structure for efficient electrocatalytic overall water splitting. Authorea . 08 July 2025. DOI: https://doi.org/10.22541/au.175196031.10634663/v1 If you have the appropriate software installed, you can download article citation data to the citation manager of your choice. Simply select your manager software from the list below and click Download. For more information or tips please see 'Downloading to a citation manager' in the Help menu . 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