Achieving Multi-Switchable Phases to Govern Enhanced Photocatalytics in Staggered In 2 Se 3 /SnSe Heterostructure

Achieving Multi-Switchable Phases to Govern Enhanced Photocatalytics in Staggered In 2 Se 3 /SnSe Heterostructure | 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 Search Search ADVANCED SEARCH SCROLL Energy & Environmental Materials This is a preprint and has not been peer reviewed. Data may be preliminary. 18 January 2026 V1 Latest version Share on Achieving Multi-Switchable Phases to Govern Enhanced Photocatalytics in Staggered In 2 Se 3 /SnSe Heterostructure Authors : Keying Han , Yitong Liang , Nana Hu , Defeng Guo , Thomas Frauenheim , Yingchun Cheng , Xingshuai Lv , and Qiang Wang 0009-0003-6461-8379 [email protected] Authors Info & Affiliations https://doi.org/10.22541/au.176875570.07838480/v1 206 views 124 downloads Contents Abstract Supplementary Material Information & Authors Metrics & Citations View Options References Figures Tables Media Share Abstract Two-dimensional staggered heterostructures, featuring by the intrinsically facilitate charge separation, provide promising platforms for efficient photocatalytic water splitting. However, their carrier dynamics generally follow two competing pathways: type-II and Z-scheme, with the distinct governing mechanisms in photocatalysis remain elusive. Here, through stacking or sliding ferroelectric control, we realize three switchable phases within an In 2 Se 3 /SnSe heterostructure, and uncover how interlayer polarization governs carrier dynamics for enhanced photocatalytic activities and efficiencies. First-principles results show that transitions between type-II and Z-scheme models can be driven by the reversal of interlayer electric fields (E int ) or donor-acceptor band edge exchanges, which will further modulate their carrier separation, redox potential alignment, interlayer carrier lifetime, carrier dynamics, pontaneous thermodynamic feasibility, and energy conversion efficiency. Compared with the inactive type-II (↑ Se - ) phase, strengthened E int in the type-II (↓ Se - ) phase suppresses interlayer e-h recombination to prolonged carrier lifetimes, while the Z-scheme (↓ Sn + ) accelerate this recombination, forming new active band edges. Thereby, both yield higher redox potentials for superior photocatalytic activities and efficiencies. Particularly, the Z-scheme (↓ Sn + ), identified as the ground state, achieving an optimal solar-to-hydrogen efficiency of 48.3%. These results uncover how stacking-induced polarization defines carrier-dynamics in staggered heterostructures, establishing interlayer engineering as an effective route toward next-generation of switchable and high-efficient 2D photocatalysts. Supplementary Material File (manuscript.pdf) Download 9.39 MB Information & Authors Information Version history V1 Version 1 18 January 2026 Copyright This work is licensed under a Non Exclusive No Reuse License. Collection Energy & Environmental Materials Keywords in2se3/snse heterostructure multi-phases switch photocatalytic activity solar-to-hydrogen efficiency type-ii (z-scheme) carrier dynamics Authors Affiliations Keying Han Yanshan University View all articles by this author Yitong Liang Yanshan University View all articles by this author Nana Hu Ocean University of China View all articles by this author Defeng Guo Yanshan University View all articles by this author Thomas Frauenheim University of Bremen View all articles by this author Yingchun Cheng Yanshan University View all articles by this author Xingshuai Lv Ocean University of China View all articles by this author Qiang Wang 0009-0003-6461-8379 [email protected] Yanshan University View all articles by this author Metrics & Citations Metrics Article Usage 206 views 124 downloads .FvxKWukQNSOunydq8rnd { width: 100px; } Citations Download citation Keying Han, Yitong Liang, Nana Hu, et al. Achieving Multi-Switchable Phases to Govern Enhanced Photocatalytics in Staggered In 2 Se 3 /SnSe Heterostructure. Authorea . 18 January 2026. DOI: https://doi.org/10.22541/au.176875570.07838480/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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