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Updated: Jun 26, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Theoretical insight into H2O impact on V2O5/TiO2 catalysts for selective catalytic reduction of NO

Boyu Wu1, Shengen Zhang1, Mingtian Huang1

  • 1Institute for Advanced Materials and Technology, University of Science and Technology Beijing, Beijing 100083, China. zhangshengen@mater.ustb.edu.cn.

Physical Chemistry Chemical Physics : PCCP
|May 14, 2024
PubMed

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