articleJournal of the American Chemical SocietyJan 30, 2020Closed access

Single-Atom Vacancy Defect to Trigger High-Efficiency Hydrogen Evolution of MoS 2

XWXin WangYZYuwei ZhangYZYuwei ZhangHSHaonan SiQZQinghua Zhang

University of Science and Technology Beijing · Chinese Academy of Sciences · +3 more institutions

PubMed
Indexed incrossrefpubmed

Abstract

Defect engineering is widely applied in transition metal dichalcogenides (TMDs) to achieve electrical, optical, magnetic, and catalytic regulation. Vacancies, regarded as a type of extremely delicate defect, are acknowledged to be effective and flexible in general catalytic modulation. However, the influence of vacancy states in addition to concentration on catalysis still remains vague. Thus, via high throughput calculations, the optimized sulfur vacancy (S-vacancy) state in terms of both concentration and distribution is initially figured out among a series of MoS2 models for the hydrogen evolution reaction (HER). In order to realize it, a facile and mild H2O2 chemical etching strategy is implemented to…

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930
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30.07
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100%
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69
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Authors

16

Topics & keywords

Topics
Keywords
  • Vacancy defect
  • Overpotential
  • Chemistry
  • Tafel equation
  • Nanosheet
  • Chemical physics
  • Catalysis
  • Etching (microfabrication)
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