globalchange  > 气候变化与战略
DOI: 10.1016/j.scib.2019.10.018
论文题名:
Highly-efficient overall water splitting in 2D Janus group-III chalcogenide multilayers: the roles of intrinsic electric filed and vacancy defects
作者: Fan Y.; Ma X.; Wang J.; Song X.; Wang A.; Liu H.; Zhao M.
刊名: Science Bulletin
ISSN: 20959273
出版年: 2020
卷: 65, 期:1
起始页码: 27
结束页码: 34
语种: 英语
中文关键词: First-principle calculation ; Intrinsic electric fields ; Janus group-III chalcogenides ; Photocatalytic water splitting ; Solar-to-hydrogen efficiency
英文关键词: Calculations ; Conversion efficiency ; Electric fields ; Hydrogen ; Indium compounds ; Multilayers ; Selenium compounds ; Solar power generation ; Van der Waals forces ; First principle calculations ; First-principles calculation ; Group III ; Hydrogen evolution reactions ; Oxygen evolution reaction ; Photocatalytic water splitting ; Photogenerated carriers ; Solar-to-hydrogen ; Chalcogenides
英文摘要: Two-dimensional (2D) van der Waals materials have been widely adopted as photocatalysts for water splitting, but the energy conversion efficiency remains low. On the basis of first-principles calculations, we demonstrate that the 2D Janus group-III chalcogenide multilayers: InGaXY, M2XY and InGaX2 (M = In/Ga; X, Y = S/Se/Te), are promising photocatalysts for highly-efficient overall water splitting. The intrinsic electric field enhances the spatial separations of photogenerated carriers and alters the band alignment, which is more pronounced compared with the Janus monolayers. High solar-to-hydrogen (STH) efficiency with the upper limit of 38.5% was predicted in the Janus multilayers. More excitingly, the Ga vacancy of InGaSSe bilayer effectively lowers the overpotentials of hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) to the levels provided solely by the photogenerated carriers. Our theoretical results suggest that the 2D Janus group-III chalcogenide multilayers could be utilized as highly efficient photocatalysts for overall water splitting without the needs of sacrificial reagents. © 2019 Science China Press
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资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/169889
Appears in Collections:气候变化与战略

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作者单位: School of Physics, Shandong University, Jinan, 250100, China; School of Information and Electronic Engineering, Shandong Technology and Business University, Yantai, 264005, China; Institute for Advanced Interdisciplinary Research, University of Jinan, Jinan, 250022, China; State Key Laboratory of Crystal Materials, Shandong University, Jinan, 250100, China; School of Physics and Electrical Engineering, Kashgar University, Kashi, 844006, China

Recommended Citation:
Fan Y.,Ma X.,Wang J.,et al. Highly-efficient overall water splitting in 2D Janus group-III chalcogenide multilayers: the roles of intrinsic electric filed and vacancy defects[J]. Science Bulletin,2020-01-01,65(1)
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