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Updated: Sep 14, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Confirmation of the rate-determining step for ORR in the high potential region: adsorption process of oxygen

Jiaxi Zeng1, Jiyuan Lu1, LiLi Zhang1

  • 1Shanghai Engineering Research Center of Hierarchical Nanomaterials, Key Laboratory for Ultrafine Materials of Ministry of Education, School of Materials Science and Engineering, East China University of Science & Technology, Shanghai 200237, China. jianghaibo@ecust.edu.cn.

Physical Chemistry Chemical Physics : PCCP
|July 21, 2025
PubMed

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