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Ordered clustering of single atomic Te vacancies in atomically thin PtTe2 promotes hydrogen evolution catalysis

Xinzhe Li, Yiyun Fang, Jun Wang, Hanyan Fang, Shibo Xi, Xiaoxu Zhao, Danyun Xu, Haomin Xu, Wei Yu, Xiao Hai, Cheng Chen, Chuanhao Yao, Hua Bing Tao, Alexander G. R. Howe, Stephen J. Pennycook, Bin Liu (), Jiong Lu () and Chenliang Su ()
Additional contact information
Xinzhe Li: Shenzhen University
Yiyun Fang: Shenzhen University
Jun Wang: Shenzhen University
Hanyan Fang: National University of Singapore
Shibo Xi: Institute of Chemical and Engineering Sciences, Agency for Science, Technology and Research (A*STAR)
Xiaoxu Zhao: National University of Singapore
Danyun Xu: Shenzhen University
Haomin Xu: National University of Singapore
Wei Yu: National University of Singapore
Xiao Hai: National University of Singapore
Cheng Chen: National University of Singapore
Chuanhao Yao: National University of Singapore
Hua Bing Tao: Nanyang Technological University
Alexander G. R. Howe: National University of Singapore
Stephen J. Pennycook: National University of Singapore
Bin Liu: Nanyang Technological University
Jiong Lu: National University of Singapore
Chenliang Su: Shenzhen University

Nature Communications, 2021, vol. 12, issue 1, 1-9

Abstract: 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.

Date: 2021
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Persistent link: https://EconPapers.repec.org/RePEc:nat:natcom:v:12:y:2021:i:1:d:10.1038_s41467-021-22681-4

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DOI: 10.1038/s41467-021-22681-4

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