Institutional Repository of Radio Astronomy Research Laboratory
| Insights into Photogenerated Carrier Dynamics and Overall Water Splitting of the CrS3/GeSe Heterostructure | |
Wan, Xue-Qing1; Yang, Chuan-Lu1,2; Li, Xiao-Hu2,3 ; Wang, Mei-Shan1; Ma, Xiao-Guang1
| |
| 2023-10-04 | |
| Source Publication | JOURNAL OF PHYSICAL CHEMISTRY LETTERS
 |
| ISSN | 1948-7185 |
| Volume | 14Issue:40Pages:9126-9135 |
| Contribution Rank | 2 |
| Abstract | Based on the nonadiabatic molecular dynamics (NAMD) simulations and the first-principles calculations, we explore the overall water-splitting schemes and the photogenerated carrier dynamics for two configurations (CG and C (y )G) of the CrS3/GeSe van der Waals heterostructures. The photocatalytic direct Z-schemes and carrier migration pathways for hydrogen and oxygen evolution reactions (HER/OER) are constructed based on the electronic properties. The solar-to-hydrogen efficiency (eta ' (STH) values) of the schemes can reach 10.60% and 10.17% and further rise under tensile strain. The NAMD results demonstrate similar transfer times of the electron/hole for HER/OER and more rapid electron-hole recombination in CG enables it to be superior to C- y G in photocatalytic performance. Moreover, the Gibbs free energy indicates that both the HERs and OERs turn to spontaneously proceed with CG and C- y G at pH = 0-12.37 and pH = 2.55-11.01, respectively. These facts reveal that the CrS3/GeSe heterostructure is promising in photocatalytic overall water splitting. |
| DOI | 10.1021/acs.jpclett.3c01780 |
| Indexed By | SCI |
| Language | 英语 |
| WOS Keyword | ELECTRON-HOLE RECOMBINATION ; ULTRAFAST CHARGE-TRANSFER ; MONOLAYER ; PHOTOCATALYST ; SEPARATION ; MOBILITY ; MOS2 ; WS2 ; TRANSITION ; CONVERSION |
| Funding Project | National Neutral Science Foundation of China[12374232] ; XinjiangTianchi Talent Program |
| WOS Research Area | Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics |
| WOS Subject | Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Atomic, Molecular & Chemical |
| WOS ID | WOS:001078938600001 |
| Publisher | AMER CHEMICAL SOC |
| Funding Organization | National Neutral Science Foundation of China ; XinjiangTianchi Talent Program |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.xao.ac.cn/handle/45760611-7/5530 |
| Collection | 射电天文研究室_天体化学研究团组 |
| Corresponding Author | Yang, Chuan-Lu |
| Affiliation | 1.Ludong Univ, Sch Phys & Optoelect Engn, Yantai 264025, Peoples R China 2.Chinese Acad Sci, Xinjiang Astron Observ, Urumqi 830011, Peoples R China 3.Chinese Acad Sci, Key Lab Radio Astron, Urumqi 830011, Peoples R China |
| Corresponding Author Affilication | Xinjiang Astronomical Observatory, Chinese Academy of Sciences |
| Recommended Citation GB/T 7714 | Wan, Xue-Qing,Yang, Chuan-Lu,Li, Xiao-Hu,et al. Insights into Photogenerated Carrier Dynamics and Overall Water Splitting of the CrS3/GeSe Heterostructure[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS,2023,14(40):9126-9135. |
| APA | Wan, Xue-Qing,Yang, Chuan-Lu,Li, Xiao-Hu,Wang, Mei-Shan,&Ma, Xiao-Guang.(2023).Insights into Photogenerated Carrier Dynamics and Overall Water Splitting of the CrS3/GeSe Heterostructure.JOURNAL OF PHYSICAL CHEMISTRY LETTERS,14(40),9126-9135. |
| MLA | Wan, Xue-Qing,et al."Insights into Photogenerated Carrier Dynamics and Overall Water Splitting of the CrS3/GeSe Heterostructure".JOURNAL OF PHYSICAL CHEMISTRY LETTERS 14.40(2023):9126-9135. |
| Files in This Item: | ||||||
| File Name/Size | DocType | Version | Access | License | ||
| Wan-2023-Insights in（11657KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Application Full Text | |
Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Edit Comment