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Single Atomic Vacancy Catalysis.

Jieun Yang1, Yan Wang1, Maureen J Lagos2

  • 1Materials Science and Metallurgy , University of Cambridge , 27 Charles Babbage Road , Cambridge CB3 0FS , United Kingdom.

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|August 10, 2019
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Summary
This summary is machine-generated.

Measuring single atom catalyst activity is difficult. This study reveals that vacancy concentration in 2D MoS2 influences hydrogen evolution activity, peaking at a specific concentration due to strain and conductivity changes.

Keywords:
helium ion microscopehydrogen evolution reactionmolybdenum disulfidescanning transmission electron microscopesingle vacancy

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Catalysis

Background:

  • Single atom catalysts offer high activity but are challenging to study in situ.
  • Understanding the factors governing intrinsic catalytic activity is crucial for catalyst design.

Purpose of the Study:

  • To investigate the catalytic activity of single vacancies for hydrogen evolution in 2D MoS2.
  • To determine the relationship between vacancy concentration and catalytic performance.

Main Methods:

  • Electrochemical measurements to assess hydrogen evolution activity.
  • Characterization of vacancy concentration, local strain, and electronic properties of 2D MoS2.

Main Results:

  • Catalytic activity per vacancy increased with concentration, peaking at 5.7 × 10^14 cm^-2.
  • At peak activity, turnover frequency was ~5 s^-1 and Tafel slope was 44 mV/dec.
  • A local strain of ~3% and a semiconductor-to-metal transition were observed at this concentration.

Conclusions:

  • Vacancy concentration significantly impacts the intrinsic activity of single atomic vacancies.
  • Engineering local strain and electrical conductivity, in addition to active sites, is vital for enhancing catalyst performance.