Enhanced performance of in-plane transition metal dichalcogenides monolayers by configuring local atomic structures
文献类型：期刊论文
| 作者 | Zhou, Y; Zhang, J; Song, EH; Lin, JH; Zhou, JD; Suenaga, K; Zhou, W; Liu, Z; Liu, JJ; Lou, J |
| 刊名 | NATURE COMMUNICATIONS
 |
| 出版日期 | 2020-05-07 |
| 期号 | 1 |
| ISSN号 | 2041-1723 |
| DOI | 10.1038/s41467-020-16111-0 |
| 文献子类 | Article |
| 英文摘要 | The intrinsic activity of in-plane chalcogen atoms plays a significant role in the catalytic performance of transition metal dichalcogenides (TMDs). A rational modulation of the local configurations is essential to activating the in-plane chalcogen atoms but restricted by the high energy barrier to break the in-plane TM-X (X=chalcogen) bonds. Here, we theoretically design and experimentally realize the tuning of local configurations. The electron transfer capacity of local configurations is used to screen suitable TMDs materials for hydrogen evolution reaction (HER). Among various configurations, the triangular-shape cobalt atom cluster with a central sulfur vacancy (3Co(Mo)-V-S) renders the distinct electrocatalytic performance of MoS2 with much reduced overpotential and Tafel slope. The present study sheds light on deeper understanding of atomic-scale local configuration in TMDs and a methodology to boost the intrinsic activity of chalcogen atoms. Designing and realizing local configurations can activate the in-plane chalcogen atoms of transition metal dichalcogenide to enhance the HER activity. We combine the theoretical screening (charge transfer capability) and experimental realization to achieve highly active local configurations |
| WOS关键词 | HYDROGEN EVOLUTION REACTION ; TOTAL-ENERGY CALCULATIONS ; SULFUR VACANCIES ; LAYER MOS2 ; 2D MOS2 ; CATALYST ; NANOSHEETS ; GRAPHENE ; DEFECTS ; ROUTE |
| WOS研究方向 | Science & Technology - Other Topics |
| 语种 | 英语 |
| 出版者 | NATURE PUBLISHING GROUP |
| 源URL | [http://ir.sic.ac.cn/handle/331005/28080]  |
| 专题 | 中国科学院上海硅酸盐研究所 |
| 推荐引用方式 GB/T 7714 | Zhou, Y,Zhang, J,Song, EH,et al. Enhanced performance of in-plane transition metal dichalcogenides monolayers by configuring local atomic structures[J]. NATURE COMMUNICATIONS,2020(1). |
| APA | Zhou, Y.,Zhang, J.,Song, EH.,Lin, JH.,Zhou, JD.,...&Fan, HJ.(2020).Enhanced performance of in-plane transition metal dichalcogenides monolayers by configuring local atomic structures.NATURE COMMUNICATIONS(1). |
| MLA | Zhou, Y,et al."Enhanced performance of in-plane transition metal dichalcogenides monolayers by configuring local atomic structures".NATURE COMMUNICATIONS .1(2020). |
入库方式： OAI收割
来源：上海硅酸盐研究所
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