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Title: Ordered clustering of single atomic Te vacancies in atomically thin PtTe2 promotes hydrogen evolution catalysis
Authors: Li, Xinzhe 
Fang, Yiyun
Wang, Jun
Fang, Hanyan 
Xi, Shibo 
Zhao, Xiaoxu 
Xu, Danyun
Xu, Haomin
Yu, Wei 
Hai, Xiao 
Chen, Cheng
Yao, Chuanhao 
Tao, Hua Bing
Howe, Alexander G. R. 
Pennycook, Stephen J. 
Liu, Bin
Lu, Jiong 
Su, Chenliang
Issue Date: 21-Apr-2021
Publisher: Nature Research
Citation: Li, Xinzhe, Fang, Yiyun, Wang, Jun, Fang, Hanyan, Xi, Shibo, Zhao, Xiaoxu, Xu, Danyun, Xu, Haomin, Yu, Wei, Hai, Xiao, Chen, Cheng, Yao, Chuanhao, Tao, Hua Bing, Howe, Alexander G. R., Pennycook, Stephen J., Liu, Bin, Lu, Jiong, Su, Chenliang (2021-04-21). Ordered clustering of single atomic Te vacancies in atomically thin PtTe2 promotes hydrogen evolution catalysis. Nature Communications 12 (1) : 2351. ScholarBank@NUS Repository.
Rights: Attribution 4.0 International
Abstract: Exposing and stabilizing undercoordinated platinum (Pt) sites and therefore optimizing their adsorption to reactive intermediates offers a desirable strategy to develop highly efficient Pt-based electrocatalysts. However, preparation of atomically controllable Pt-based model catalysts to understand the correlation between electronic structure, adsorption energy, and catalytic properties of atomic Pt sites is still challenging. Herein we report the atomically thin two-dimensional PtTe2 nanosheets with well-dispersed single atomic Te vacancies (Te-SAVs) and atomically well-defined undercoordinated Pt sites as a model electrocatalyst. A controlled thermal treatment drives the migration of the Te-SAVs to form thermodynamically stabilized, ordered Te-SAV clusters, which decreases both the density of states of undercoordinated Pt sites around the Fermi level and the interacting orbital volume of Pt sites. As a result, the binding strength of atomically defined Pt active sites to H intermediates is effectively reduced, which renders PtTe2 nanosheets highly active and stable in hydrogen evolution reaction. © 2021, The Author(s).
Source Title: Nature Communications
ISSN: 2041-1723
DOI: 10.1038/s41467-021-22681-4
Rights: Attribution 4.0 International
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