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Updated: Sep 28, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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Revealing the catalytic kinetics and dynamics of individual Pt atoms at the single-molecule level

Xiaodong Liu1,2,3,4, Xin Ge5,6,7,8,9, Jing Cao1,2,3

  • 1State Key Laboratory of Electroanalytical Chemistry, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People's Republic of China.

Proceedings of the National Academy of Sciences of the United States of America
|March 29, 2022
PubMed

Keywords:
catalytic kinetics and dynamicsindividual atomsingle-atom catalysissingle-molecule fluorescence microscopysurface restructuring

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