The SWSe-BP vdW Heterostructure as a Promising Photocatalyst for Water Splitting with Power Conversion Efficiency of 19.4%

doi:10.1021/acsomega.2c01977

	The SWSe-BP vdW Heterostructure as a Promising Photocatalyst for Water Splitting with Power Conversion Efficiency of 19.4%
	Tu, Jiarui 2; Wu, Wenjun 2; Lei, Xueling 2; Li, Pengfei 1,3
刊名	ACS OMEGA
	2022-10-14
ISSN号	2470-1343
DOI	10.1021/acsomega.2c01977
通讯作者	Lei, Xueling(xueling@mail.ustc.edu.cn) ; Li, Pengfei(pfli@issp.ac.cn)
英文摘要	Hydrogen generation by photocatalytic water splitting has drawn enormous research attention for converting sunlight and water into clean and green hydrogen fuel. However, the search for a high efficiency photocatalyst for water splitting is a key challenge. Two dimensional (2D) van der Waals (vdW) heterostructures as photocatalysts exhibit many advantages over the stacked original materials. In this article, we designed two novel 2D vdW heterostructures composed of WSSe and blue phosphorene (BP) monolayers, SWSe-BP and SeWS-BP, which are thermodynamically stable at room temperature. Using first-principles calculations, we found that the SWSe-BP vdW heterostructure can act as a potential photocatalyst for water splitting due to its robust stabilities, type-II band alignment, moderate bandgap, and suitable band edge positions for the redox reactions of water splitting, strong optical absorption, and excellent power conversion efficiency (PCE). Remarkably, the PCE of the SWSe-BP vdW heterostructure can achieve approximately 19.4% under a 3% biaxial tensile strain.
资助项目	Natural Science Foundation of China ; Natural Science Foundation of Jiangxi Province ; [12164020] ; [20202BAB201012]
WOS关键词	POTENTIAL APPLICATIONS ; ELECTRONIC-STRUCTURES ; MOLECULAR-DYNAMICS ; BLUE PHOSPHORUS ; DESIGN ; POINT
WOS研究方向	Chemistry
语种	英语
出版者	AMER CHEMICAL SOC
WOS记录号	WOS:000873958900001
资助机构	Natural Science Foundation of China ; Natural Science Foundation of Jiangxi Province
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/129400]
专题	中国科学院合肥物质科学研究院
通讯作者	Lei, Xueling; Li, Pengfei
作者单位	1.Chinese Acad Sci, Inst Solid State Phys, Hefei Inst Phys Sci, Anhui Key Lab Nanomat & Nanotechnol, Hefei 230031, Peoples R China 2.Jiangxi Normal Univ, Dept Phys, Nanchang 330022, Jiangxi, Peoples R China 3.Chinese Acad Sci, Key Lab Mat Phys, Hefei 230031, Peoples R China
推荐引用方式 GB/T 7714	Tu, Jiarui,Wu, Wenjun,Lei, Xueling,et al. The SWSe-BP vdW Heterostructure as a Promising Photocatalyst for Water Splitting with Power Conversion Efficiency of 19.4%[J]. ACS OMEGA,2022.
APA	Tu, Jiarui,Wu, Wenjun,Lei, Xueling,&Li, Pengfei.(2022).The SWSe-BP vdW Heterostructure as a Promising Photocatalyst for Water Splitting with Power Conversion Efficiency of 19.4%.ACS OMEGA.
MLA	Tu, Jiarui,et al."The SWSe-BP vdW Heterostructure as a Promising Photocatalyst for Water Splitting with Power Conversion Efficiency of 19.4%".ACS OMEGA (2022).