Frenkel-defected monolayer MoS2 catalysts for efficient hydrogen evolution

Jie Xu, Gonglei Shao, Xuan Tang, Fang Lv, Haiyan Xiang, Changfei Jing, Song Liu (), Sheng Dai (), Yanguang Li (), Jun Luo () and Zhen Zhou
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Jie Xu: Soochow University
Gonglei Shao: Hunan University
Xuan Tang: East China University of Science & Technology
Fang Lv: Soochow University
Haiyan Xiang: Hunan University
Changfei Jing: Tianjin University of Technology
Song Liu: Hunan University
Sheng Dai: East China University of Science & Technology
Yanguang Li: Soochow University
Jun Luo: Tianjin University of Technology
Zhen Zhou: Zhengzhou University

Nature Communications, 2022, vol. 13, issue 1, 1-8

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 MoS2 catalyst, in which a fraction of Mo atoms in MoS2 spontaneously leave their places in the lattice, creating vacancies and becoming interstitials by lodging in nearby locations. Unique charge distributions are introduced in the MoS2 surface planes, and those interstitial Mo atoms are more conducive to H adsorption, thus greatly promoting the HER activity of monolayer MoS2 base planes. At the current density of 10 mA cm−2, the optimal Frenkel-defected monolayer MoS2 exhibits a lower overpotential (164 mV) than either pristine monolayer MoS2 surface plane (358 mV) or Pt-single-atom doped MoS2 (211 mV). This work provides insights into the structure-property relationship of point-defected MoS2 and highlights the advantages of Frenkel defects in tuning the catalytic performance of MoS2 materials.

Date: 2022
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DOI: 10.1038/s41467-022-29929-7

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