A black Phosphorus/BiVO4(010) heterostructure for promising photocatalytic performance: First-principles study
文献类型：期刊论文
| 作者 | Zhang, R; Hao, GQ; Li, HB; Ye, XJ; Gao, SP; Yuan, X; Liu, C |
| 刊名 | JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
 |
| 出版日期 | 2020-08-01 |
| ISSN号 | 0022-3697 |
| DOI | 10.1016/j.jpcs.2020.109466 |
| 文献子类 | Article |
| 英文摘要 | Black phosphorus-based two-dimensional heterostructure photocatalysts have attracted much attention due to their prominent photocatalytic performance. However, theoretical analysis on the mechanism of photocatalytic activity is still lacking. Firstly, we comprehensively analyzed the structural and electronic properties of BP/BiVO4 (010) heterostructure. It is found that the BP/BiVO4 (010) composite was a stable interface and formed a type-II heterostructure. The density of states, Bader charge, and charge density difference were elucidated and the results show that the BiVO4 (010) slab can act as a protect and supporting layer to protect monolayer BP from oxidation and deformation while still maintaining its electronic properties. In addition, the BP/BiVO4 (010) is forming a built-in electric field from BP to BiVO4, which facilitate the separation of e-/h + pair at the BP/BiVO4 interface and enable the water with a high redox potential. These results provide monolayer BP-based composite photocatalysts and insightful understanding of the physical mechanism of this new synthesized system. |
| WOS关键词 | PHOSPHORUS ; MONOLAYER ; HETEROJUNCTIONS ; NANOCOMPOSITE ; MECHANISM ; GRAPHENE ; MOS2 |
| WOS研究方向 | Chemistry ; Physics |
| 语种 | 英语 |
| 出版者 | PERGAMON-ELSEVIER SCIENCE LTD |
| 源URL | [http://ir.sic.ac.cn/handle/331005/27876]  |
| 专题 | 中国科学院上海硅酸盐研究所 |
| 推荐引用方式 GB/T 7714 | Zhang, R,Hao, GQ,Li, HB,et al. A black Phosphorus/BiVO4(010) heterostructure for promising photocatalytic performance: First-principles study[J]. JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS,2020. |
| APA | Zhang, R.,Hao, GQ.,Li, HB.,Ye, XJ.,Gao, SP.,...&Liu, C.(2020).A black Phosphorus/BiVO4(010) heterostructure for promising photocatalytic performance: First-principles study.JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS. |
| MLA | Zhang, R,et al."A black Phosphorus/BiVO4(010) heterostructure for promising photocatalytic performance: First-principles study".JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS (2020). |
入库方式： OAI收割
来源：上海硅酸盐研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。