Efficient photocatalytic overall water splitting for hydrogen evolution and CO2 reduction with SiCP4 allotrope monolayers
文献类型：期刊论文
| 作者 | Yin, Yi-Tong2; Yang, Chuan-Lu2,3; Li, Xiao-Hu1,3 ; Liu, Yu-Liang2; Zhao, Wen -Kai2
|
| 刊名 | APPLIED SURFACE SCIENCE
 |
| 出版日期 | 2024-05-01 |
| 卷号 | 654页码:159440 |
| 关键词 | Allotropes Stability STH Gibbs free energy CO 2 reduction |
| ISSN号 | 0169-4332 |
| DOI | 10.1016/j.apsusc.2024.159440 |
| 产权排序 | 2 |
| 英文摘要 | Two-dimensional metal-free photocatalysts are catching the attention of researchers. Here, we present several allotrope SiCP4 monolayers with high stability, high carrier mobility, and excellent photocatalytic performance. Using a searching method based on the universal structure predictor evolutionary xtallography, together with assessing the energy and thermodynamic stabilities, and matching the potentials of band edges with the photocatalytic conditions for achieving overall water splitting, we successfully identify 5 highly favorable configurations (including the previously reported one) from a pool of 1056 allotrope SiCP4 monolayers. The results show that the largest solar-to-hydrogen efficiency of the considered monolayers can reach 21.89 %, while a high mobility of 2.7677 x 105 cm2 V-1 s-1 is observed, both are superior to those of the previously reported one. The Gibbs free energies for hydrogen or oxygen evolutions, and CO2 reduction reactions indicate they are thermodynamically feasible. Moreover, the hydrogen evolution reaction can proceed spontaneously with two allotrope SiCP4 monolayers. Therefore, the newfound allotrope SiCP4 monolayers are expected to have potential applications in the field of photocatalytic water splitting for hydrogen generation and carbon dioxide reduction. |
| WOS关键词 | AB-INITIO ; PHOSPHORUS ; PREDICTION ; DIOXIDE |
| 资助项目 | National Natural Science Foundation of China (NSFC)[NSFC-12374232] |
| WOS研究方向 | Chemistry ; Materials Science ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:001171810200001 |
| 出版者 | ELSEVIER |
| 资助机构 | National Natural Science Foundation of China (NSFC) |
| 源URL | [http://ir.xao.ac.cn/handle/45760611-7/5884]  |
| 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, Key Lab Radio Astron, Urumqi 830011, Peoples R China 2.Ludong Univ, Sch Phys & Optoelect Engn, Yantai 264025, Peoples R China 3.Chinese Acad Sci, Xinjiang Astron Observ, Urumqi 830011, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yin, Yi-Tong,Yang, Chuan-Lu,Li, Xiao-Hu,et al. Efficient photocatalytic overall water splitting for hydrogen evolution and CO2 reduction with SiCP4 allotrope monolayers[J]. APPLIED SURFACE SCIENCE,2024,654:159440. |
| APA | Yin, Yi-Tong,Yang, Chuan-Lu,Li, Xiao-Hu,Liu, Yu-Liang,&Zhao, Wen -Kai.(2024).Efficient photocatalytic overall water splitting for hydrogen evolution and CO2 reduction with SiCP4 allotrope monolayers.APPLIED SURFACE SCIENCE,654,159440. |
| MLA | Yin, Yi-Tong,et al."Efficient photocatalytic overall water splitting for hydrogen evolution and CO2 reduction with SiCP4 allotrope monolayers".APPLIED SURFACE SCIENCE 654(2024):159440. |
入库方式： OAI收割
来源：新疆天文台
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