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Updated: May 17, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Electric-Field-Dependent Covalent Interactions between H+ and Surface O Atoms Promote the Structural Disintegration

Shuang Xiao1, Jiawen Qu1, Yuting Tang1

  • 1Chongqing Key Laboratory of Interface Process and Soil Health, College of Resources and Environment, Southwest University, Chongqing 400715, P. R. China.

Langmuir : the ACS Journal of Surfaces and Colloids
|May 15, 2025
PubMed

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