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GaSe/YAlS3: A type-II van der Waals heterostructure with ultrahigh solar-to-hydrogen efficiency for photocatalytic water splitting
Li, Pei Yue1; Yuan, Jun Hui2; Wang, Jiafu2; Wang, Yuan3; Zhang, Pan1,3
2024-02-15
Source PublicationInternational Journal of Hydrogen Energy
ISSN0360-3199
Volume55Pages:1254-1264
Abstract

Photocatalytic water splitting, a process aimed at hydrogen production, is considered a pivotal clean energy sources to achieve environmental friendliness and high energy efficiency in the future. The crux of achieving this objective lies in the design of stable and efficient catalysts. Herein, we proposed a novel type-II band alignment GaSe/YAlS van der Waals heterostructure with robust stability for photocatalytic water splitting. The intrinsic electric field of YAlS monolayer can break the requirement of band gap (>1.23 eV) in traditional photocatalytic water splitting theory and significantly enhancing the utilization of solar energy. Encouragingly, compared to individual monolayers GaSe or YAlS, the optical absorption coefficients of the GaSe/YAlS heterostructure are significantly improved and the corrected solar-to-hydrogen (STH) efficiency is improved by 406% and 132%, respectively, reaching an impressive 29.73% efficiency. Furthermore, the heterostructure demonstrates exceptional overall water splitting performance across a broad pH range and maintains a consistently high STH efficiency (25.41%∼34.71%) under a wide range biaxial strain (−6%–5%). In addition, the designed GaSe/YAlS heterostructure showcases enhanced absorption of visible as well as partial absorption of infrared light for photocatalytic water splitting. These compelling findings unequivocally establish GaSe/YAlS heterostructure as an excellent and promising candidate for photocatalytic water splitting.

KeywordFirst-principles Calculations Intrinsic Electric Field Photocatalytic Water Splitting Solar-to-hydrogen Two-dimensional Materials
DOI10.1016/j.ijhydene.2023.11.172
URLView the original
Indexed BySCIE
Language英語English
WOS Research AreaChemistry ; Electrochemistry ; Energy & Fuels
WOS SubjectChemistry, Physical ; Electrochemistry ; Energy & Fuels
WOS IDWOS:001147690800001
PublisherPERGAMON-ELSEVIER SCIENCE LTD, THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND
Scopus ID2-s2.0-85179743108
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Document TypeJournal article
CollectionTHE STATE KEY LABORATORY OF ANALOG AND MIXED-SIGNAL VLSI (UNIVERSITY OF MACAU)
INSTITUTE OF MICROELECTRONICS
Corresponding AuthorYuan, Jun Hui; Zhang, Pan
Affiliation1.School of Integrated Circuits, Peking University, Beijing, 100871, China
2.School of Science, Wuhan University of Technology, Wuhan, 430070, China
3.Insititute of Microelectronics, State Key Laboratory of Analog and Mixed-Signal VLSI, University of Macau, Taipa, Macau, China
Corresponding Author AffilicationUniversity of Macau
Recommended Citation
GB/T 7714
Li, Pei Yue,Yuan, Jun Hui,Wang, Jiafu,et al. GaSe/YAlS3: A type-II van der Waals heterostructure with ultrahigh solar-to-hydrogen efficiency for photocatalytic water splitting[J]. International Journal of Hydrogen Energy, 2024, 55, 1254-1264.
APA Li, Pei Yue., Yuan, Jun Hui., Wang, Jiafu., Wang, Yuan., & Zhang, Pan (2024). GaSe/YAlS3: A type-II van der Waals heterostructure with ultrahigh solar-to-hydrogen efficiency for photocatalytic water splitting. International Journal of Hydrogen Energy, 55, 1254-1264.
MLA Li, Pei Yue,et al."GaSe/YAlS3: A type-II van der Waals heterostructure with ultrahigh solar-to-hydrogen efficiency for photocatalytic water splitting".International Journal of Hydrogen Energy 55(2024):1254-1264.
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