Newfound 2D In2S3 allotropy monolayers for efficient photocatalytic overall water splitting to produce hydrogen
文献类型：期刊论文
| 作者 | Zhan, Li-Bo2; Yang, Chuan-Lu1,4; Li, Xiao-Hu3,4 ; Liu, Yu-Liang1; Zhao, Wen-Kai1
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| 刊名 | INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
 |
| 出版日期 | 2024-11-04 |
| 卷号 | 89页码:1185-1195 |
| 关键词 | Screening Band edges Overpotential Monolayer Overall water splitting Photocatalysis |
| ISSN号 | 0360-3199 |
| DOI | 10.1016/j.ijhydene.2024.09.385 |
| 产权排序 | 3 |
| 英文摘要 | Allotropy structures may induce different electronic and optical properties, which implies that one can acquire novel performance by screening its allotropy structures. Here, we demonstrate that two In2S3 allotropy monolayers with excellent photocatalytic performance for water splitting to produce hydrogen are screened from 1038 In2S3 allotropy monolayers. The phonon dispersions are calculated for 39 allotropes with the lowest formation energies, which confirms that 16 allotropes have dynamic stability, including the only one reported in the literature. The results of overpotentials of band edges demonstrate that 8 allotropes match the potential requirements of overall water splitting. The thermodynamic stability of these allotropes is further confirmed for the obtained allotropes. Then, two allotropes with maximum solar-to-hydrogen efficiency of 17.78% and 29.32% are screened. The Gibbs free energy with the solvent effect indicates that one allotrope can proceed photocatalytic hydrogen/oxygen evolution reactions spontaneously. Therefore, the newfound In2S3 allotropy monolayers have potential applications in photocatalytic overall water splitting for hydrogen generation. |
| WOS关键词 | SEMICONDUCTOR ; PRINCIPLES ; DYNAMICS ; GA2S3 ; GAP ; SE |
| 资助项目 | Shandong Provincial Natural Science Foundation[ZR2023MA084] ; National Natural Science Foundation of China[12374232] |
| WOS研究方向 | Chemistry ; Electrochemistry ; Energy & Fuels |
| 语种 | 英语 |
| WOS记录号 | WOS:001330969600001 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 资助机构 | Shandong Provincial Natural Science Foundation ; National Natural Science Foundation of China |
| 源URL | [http://ir.xao.ac.cn/handle/45760611-7/7043]  |
| 专题 | 天体化学研究团组 |
| 通讯作者 | Zhan, Li-Bo; Yang, Chuan-Lu |
| 作者单位 | 1.Ludong Univ, Sch Phys & Optoelect Engn, Yantai 264025, Peoples R China 2.Binzhou Med Univ, Basic Med Coll, Yantai 264003, Peoples R China 3.Chinese Acad Sci, Key Lab Radio Astron, Urumqi 830011, Peoples R China 4.Chinese Acad Sci, Xinjiang Astron Observ, Urumqi 830011, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhan, Li-Bo,Yang, Chuan-Lu,Li, Xiao-Hu,et al. Newfound 2D In2S3 allotropy monolayers for efficient photocatalytic overall water splitting to produce hydrogen[J]. INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,2024,89:1185-1195. |
| APA | Zhan, Li-Bo,Yang, Chuan-Lu,Li, Xiao-Hu,Liu, Yu-Liang,&Zhao, Wen-Kai.(2024).Newfound 2D In2S3 allotropy monolayers for efficient photocatalytic overall water splitting to produce hydrogen.INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,89,1185-1195. |
| MLA | Zhan, Li-Bo,et al."Newfound 2D In2S3 allotropy monolayers for efficient photocatalytic overall water splitting to produce hydrogen".INTERNATIONAL JOURNAL OF HYDROGEN ENERGY 89(2024):1185-1195. |
入库方式： OAI收割
来源：新疆天文台
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