Novel X@g-C3N4/GaP3 (X = S, Se) heterostructures for photocatalytic overall water splitting with Z-scheme
文献类型：期刊论文
| 作者 | Shi, Wen-Jie1; Yang, Chuan-Lu1,2; Li, Xiaohu2,3 ; Liu, Yuliang1; Zhao, Wenkai1
|
| 刊名 | APPLIED SURFACE SCIENCE
 |
| 出版日期 | 2025-03-15 |
| 卷号 | 685页码:162045 |
| 关键词 | Z -scheme Doped heterostructure Non-adiabatic Water splitting Photocatalytic |
| ISSN号 | 0169-4332 |
| DOI | 10.1016/j.apsusc.2024.162045 |
| 产权排序 | 2 |
| 英文摘要 | S or Se atoms are doped into the g-C3N4/GaP3 heterostructure to promote the solar-to-hydrogen (STH) efficiency. The fully optimized geometrical structures demonstrate the doped S and Se atoms are possibly located at either out-plane or in-plane sites on the g-C3N4 monolayer of the heterostructure. The electronic properties reveal that the photocatalytic Z-schemes with a maximum STH efficiency of 27.53 % or 24.77 % can be achieved for the outplane S or Se-doped g-C3N4/GaP3 heterostructure, respectively. The migration and recombination of the photogenerated carriers are explored using non-adiabatic molecular dynamics simulation. The outputs demonstrate that the electron/hole lifetimes in photocatalytic hydrogen/oxygen evolution reactions are similar, indicating that the activities of the photogenerated carriers are effectively protected. However, the electron-hole recombination of the Se@g-C3N4/GaP3 heterostructure is faster, implying that the photocatalytic Z-scheme is more efficient. Gibbs free energies show that the Se@g-C3N4/GaP3 heterostructure can drive the hydrogen evolution reactions to proceed spontaneously. These facts indicate that the S@g-C3N4/GaP3 and Se@g-C3N4/GaP3 heterostructures are competitive candidates for overall water splitting with photocatalytic Z-schemes for hydrogen production. |
| WOS关键词 | ENHANCED VISIBLE-LIGHT ; CARBON NITRIDE NANOSHEETS ; DOPED G-C3N4 NANOSHEETS ; H-2 EVOLUTION ; POROUS G-C3N4 ; HYDROGEN ; PHOSPHORUS ; HETEROJUNCTION ; PERFORMANCE ; MONOLAYER |
| 资助项目 | National Natural Science Foundation of China[12374232] |
| WOS研究方向 | Chemistry ; Materials Science ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:001389574500001 |
| 出版者 | ELSEVIER |
| 资助机构 | National Natural Science Foundation of China |
| 源URL | [http://ir.xao.ac.cn/handle/45760611-7/7355]  |
| 专题 | 天体化学研究团组 |
| 通讯作者 | Yang, Chuan-Lu |
| 作者单位 | 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 |
| 推荐引用方式 GB/T 7714 | Shi, Wen-Jie,Yang, Chuan-Lu,Li, Xiaohu,et al. Novel X@g-C3N4/GaP3 (X = S, Se) heterostructures for photocatalytic overall water splitting with Z-scheme[J]. APPLIED SURFACE SCIENCE,2025,685:162045. |
| APA | Shi, Wen-Jie,Yang, Chuan-Lu,Li, Xiaohu,Liu, Yuliang,&Zhao, Wenkai.(2025).Novel X@g-C3N4/GaP3 (X = S, Se) heterostructures for photocatalytic overall water splitting with Z-scheme.APPLIED SURFACE SCIENCE,685,162045. |
| MLA | Shi, Wen-Jie,et al."Novel X@g-C3N4/GaP3 (X = S, Se) heterostructures for photocatalytic overall water splitting with Z-scheme".APPLIED SURFACE SCIENCE 685(2025):162045. |
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来源：新疆天文台
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