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Enhanced performance of in-plane transition metal dichalcogenides monolayers by configuring local atomic structures
Zhou, Y; Zhang, J; Song, EH; Lin, JH; Zhou, JD; Suenaga, K; Zhou, W; Liu, Z; Liu, JJ; Lou, J; Fan, HJ
2020-05-07
Source PublicationNATURE COMMUNICATIONS
ISSN2041-1723
Issue1
SubtypeArticle
AbstractThe 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
DOI10.1038/s41467-020-16111-0
WOS KeywordHYDROGEN EVOLUTION REACTION ; TOTAL-ENERGY CALCULATIONS ; SULFUR VACANCIES ; LAYER MOS2 ; 2D MOS2 ; CATALYST ; NANOSHEETS ; GRAPHENE ; DEFECTS ; ROUTE
Language英语
WOS Research AreaScience & Technology - Other Topics
PublisherNATURE PUBLISHING GROUP
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Document Type期刊论文
Identifierhttp://ir.sic.ac.cn/handle/331005/28080
Collection中国科学院上海硅酸盐研究所
Recommended Citation
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).
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