articleNature CommunicationsApr 22, 2022GOLD OA

Frenkel-defected monolayer MoS2 catalysts for efficient hydrogen evolution

Soochow University · Hunan University · +3 more institutions

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Abstract

Abstract Defect engineering is an effective strategy to improve the activity of two-dimensional molybdenum disulfide base planes toward electrocatalytic hydrogen evolution reaction. Here, we report a Frenkel-defected monolayer MoS 2 catalyst, in which a fraction of Mo atoms in MoS 2 spontaneously leave their places in the lattice, creating vacancies and becoming interstitials by lodging in nearby locations. Unique charge distributions are introduced in the MoS 2 surface planes, and those interstitial Mo atoms are more conducive to H adsorption, thus greatly promoting the HER activity of monolayer MoS 2 base planes. At the current density of 10 mA cm −2 , the optimal Frenkel-defected monolayer MoS 2 exhibits a…

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Authors

11

Topics & keywords

Keywords
  • Monolayer
  • Molybdenum disulfide
  • Overpotential
  • Materials science
  • Catalysis
  • Density functional theory
  • Atom (system on chip)
  • Chemical physics
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