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| Main Authors: | , , , , , , , , , , , , , , , , , , , , , , |
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| Format: | Preprint |
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2023
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2307.10759 |
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| _version_ | 1866909227403968512 |
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| author | Xu, Xin Wang, Xuechun Yu, Shuming Wang, Chenhui Liu, Guowei Li, Hao Yang, Jiangang Li, Jing Sun, Tao Hai, Xiao Li, Lei Liu, Xue Zhang, Ying Zhang, Weifeng Zhang, Quan Wang, Kedong Xu, Nan Ma, Yaping Ming, Fangfei Cui, Ping Lu, Jiong Zhang, Zhenyu Xiao, Xudong |
| author_facet | Xu, Xin Wang, Xuechun Yu, Shuming Wang, Chenhui Liu, Guowei Li, Hao Yang, Jiangang Li, Jing Sun, Tao Hai, Xiao Li, Lei Liu, Xue Zhang, Ying Zhang, Weifeng Zhang, Quan Wang, Kedong Xu, Nan Ma, Yaping Ming, Fangfei Cui, Ping Lu, Jiong Zhang, Zhenyu Xiao, Xudong |
| contents | Chemical activation of the intrinsically inert basal planes of transition metal dichalcogenides (TMDs) is crucial for developing high-efficiency electrocatalysts for energy technology applications. Here we report the discovery of an efficient TMD-based topological catalyst for hydrogen evolution reaction (HER), containing high-density single-atom reactive centers on a few-layer (7x7)-PtTe2-x superstructure with a Te-vacancy density of x. Compared with pristine Pt(111), PtTe2, and (2x2)-PtTe2-x, (7x7)-PtTe2-x exhibits superior HER performance owing to its substantially increased density of undercoordinated Pt sites, and displays exceptional catalytic stability when operating at high current densities. Our first-principles calculations confirm that multiple types of undercoordinated Pt sites on (7x7)-PtTe2-x exhibit favorable hydrogen adsorption Gibbs free energies, and that the reactive sites can further increase their population upon increasing hydrogen coverage. Both the (2x2)- and (7x7)-PtTe2-x are also shown to possess nontrivial band topology with robust edge states that may further facilitate HER. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2307_10759 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | High-density single-atom electrocatalytic centers on two-dimensional topological platinum tellurides with Te-vacancy superstructure Xu, Xin Wang, Xuechun Yu, Shuming Wang, Chenhui Liu, Guowei Li, Hao Yang, Jiangang Li, Jing Sun, Tao Hai, Xiao Li, Lei Liu, Xue Zhang, Ying Zhang, Weifeng Zhang, Quan Wang, Kedong Xu, Nan Ma, Yaping Ming, Fangfei Cui, Ping Lu, Jiong Zhang, Zhenyu Xiao, Xudong Materials Science Chemical activation of the intrinsically inert basal planes of transition metal dichalcogenides (TMDs) is crucial for developing high-efficiency electrocatalysts for energy technology applications. Here we report the discovery of an efficient TMD-based topological catalyst for hydrogen evolution reaction (HER), containing high-density single-atom reactive centers on a few-layer (7x7)-PtTe2-x superstructure with a Te-vacancy density of x. Compared with pristine Pt(111), PtTe2, and (2x2)-PtTe2-x, (7x7)-PtTe2-x exhibits superior HER performance owing to its substantially increased density of undercoordinated Pt sites, and displays exceptional catalytic stability when operating at high current densities. Our first-principles calculations confirm that multiple types of undercoordinated Pt sites on (7x7)-PtTe2-x exhibit favorable hydrogen adsorption Gibbs free energies, and that the reactive sites can further increase their population upon increasing hydrogen coverage. Both the (2x2)- and (7x7)-PtTe2-x are also shown to possess nontrivial band topology with robust edge states that may further facilitate HER. |
| title | High-density single-atom electrocatalytic centers on two-dimensional topological platinum tellurides with Te-vacancy superstructure |
| topic | Materials Science |
| url | https://arxiv.org/abs/2307.10759 |