Atomic-level polarization in electric fields of defects for electrocatalysis

Jie Xu, Xiong-Xiong Xue, Gonglei Shao (), Changfei Jing, Sheng Dai, Kun He, Peipei Jia, Shun Wang, Yifei Yuan (), Jun Luo () and Jun Lu ()
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Jie Xu: Wenzhou University
Xiong-Xiong Xue: Xiangtan University
Gonglei Shao: Zhengzhou University
Changfei Jing: East China University of Science & Technology
Sheng Dai: East China University of Science & Technology
Kun He: Wenzhou University
Peipei Jia: University of Electronic Science and Technology of China
Shun Wang: Wenzhou University
Yifei Yuan: Wenzhou University
Jun Luo: University of Electronic Science and Technology of China
Jun Lu: Zhejiang University

Nature Communications, 2023, vol. 14, issue 1, 1-9

Abstract: Abstract The thriving field of atomic defect engineering towards advanced electrocatalysis relies on the critical role of electric field polarization at the atomic scale. While this is proposed theoretically, the spatial configuration, orientation, and correlation with specific catalytic properties of materials are yet to be understood. Here, by targeting monolayer MoS2 rich in atomic defects, we pioneer the direct visualization of electric field polarization of such atomic defects by combining advanced electron microscopy with differential phase contrast technology. It is revealed that the asymmetric charge distribution caused by the polarization facilitates the adsorption of H*, which originally activates the atomic defect sites for catalytic hydrogen evolution reaction (HER). Then, it has been experimentally proven that atomic-level polarization in electric fields can enhance catalytic HER activity. This work bridges the long-existing gap between the atomic defects and advanced electrocatalysis by directly revealing the angstrom-scale electric field polarization and correlating it with the as-tuned catalytic properties of materials; the methodology proposed here could also inspire future studies focusing on catalytic mechanism understanding and structure-property-performance relationship.

Date: 2023
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DOI: 10.1038/s41467-023-43689-y

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