气候变化领域集成服务门户(CCPortal): Highly-efficient overall water splitting in 2D Janus group-III chalcogenide multilayers: the roles of intrinsic electric filed and vacancy defects

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DOI	10.1016/j.scib.2019.10.018
	Highly-efficient overall water splitting in 2D Janus group-III chalcogenide multilayers: the roles of intrinsic electric filed and vacancy defects
	Fan Y.; Ma X.; Wang J.; Song X.; Wang A.; Liu H.; Zhao M.
发表日期	2020
ISSN	20959273
起始页码	27
结束页码	34
卷号	65 期号:1
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
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
语种	英语
来源期刊	Science Bulletin
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/207033
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
推荐引用方式 GB/T 7714	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],2020,65(1).
APA	Fan Y..,Ma X..,Wang J..,Song X..,Wang A..,...&Zhao M..(2020).Highly-efficient overall water splitting in 2D Janus group-III chalcogenide multilayers: the roles of intrinsic electric filed and vacancy defects.Science Bulletin,65(1).
MLA	Fan Y.,et al."Highly-efficient overall water splitting in 2D Janus group-III chalcogenide multilayers: the roles of intrinsic electric filed and vacancy defects".Science Bulletin 65.1(2020).