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Updated: Sep 23, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

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

Published on: April 12, 2019

Interfacial hydrogen transfer for heterogeneous catalysis

Qian Zheng1, Yancai Yao2, Lizhi Zhang3,4

  • 1State Key Laboratory of Green Papermaking and Resource Recycling, School of Environmental Science and Engineering, Shanghai Jiao Tong University, Shanghai, People's Republic of China.

Nature Reviews. Chemistry
|September 21, 2026
PubMed

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