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

文献类型：期刊论文

作者Tu, Jiarui2; Wu, Wenjun2; Lei, Xueling2; Li, Pengfei1,3
刊名ACS OMEGA
出版日期2022-10-14
ISSN号2470-1343
DOI10.1021/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.
WOS关键词POTENTIAL APPLICATIONS ; ELECTRONIC-STRUCTURES ; MOLECULAR-DYNAMICS ; BLUE PHOSPHORUS ; DESIGN ; POINT
资助项目Natural Science Foundation of China ; Natural Science Foundation of Jiangxi Province ; [12164020] ; [20202BAB201012]
WOS研究方向Chemistry
语种英语
WOS记录号WOS:000873958900001
出版者AMER CHEMICAL SOC
资助机构Natural Science Foundation of China ; Natural Science Foundation of Jiangxi Province
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).

入库方式： OAI收割

来源：合肥物质科学研究院

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