Insights into Photogenerated Carrier Dynamics and Overall Water Splitting of the CrS3/GeSe Heterostructure
文献类型：期刊论文
| 作者 | Wan, Xue-Qing2; Yang, Chuan-Lu1,2; Li, Xiao-Hu1,3 ; Wang, Mei-Shan2; Ma, Xiao-Guang2
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| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY LETTERS
 |
| 出版日期 | 2023-10-04 |
| 卷号 | 14期号:40页码:9126-9135 |
| ISSN号 | 1948-7185 |
| DOI | 10.1021/acs.jpclett.3c01780 |
| 产权排序 | 2 |
| 英文摘要 | 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. |
| WOS关键词 | ELECTRON-HOLE RECOMBINATION ; ULTRAFAST CHARGE-TRANSFER ; MONOLAYER ; PHOTOCATALYST ; SEPARATION ; MOBILITY ; MOS2 ; WS2 ; TRANSITION ; CONVERSION |
| 资助项目 | National Neutral Science Foundation of China[12374232] ; XinjiangTianchi Talent Program |
| WOS研究方向 | Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:001078938600001 |
| 出版者 | AMER CHEMICAL SOC |
| 资助机构 | National Neutral Science Foundation of China ; XinjiangTianchi Talent Program |
| 源URL | [http://ir.xao.ac.cn/handle/45760611-7/5529]  |
| 专题 | 天体化学研究团组 |
| 通讯作者 | Yang, Chuan-Lu |
| 作者单位 | 1.Chinese Acad Sci, Xinjiang Astron Observ, Urumqi 830011, Peoples R China 2.Ludong Univ, Sch Phys & Optoelect Engn, Yantai 264025, Peoples R China 3.Chinese Acad Sci, Key Lab Radio Astron, Urumqi 830011, Peoples R China |
| 推荐引用方式 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. |
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来源：新疆天文台
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