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Updated: Jul 1, 2025

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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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Enhanced formic acid electrolysis of Pd sites by improved OH adsorption assisted by MoP
Lice Yu1, Shuli Wang1, Yun Yang2
1School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou, 225002, PR China. ligang.feng@yzu.edu.cn.
Abstract:
MoP nanofiber-coupled Pd nanoparticles were demonstrated as efficient catalysts for formic acid-assisted water splitting in hydrogen generation. The theoretical calculations indicated that the OH on the surface of MoP through d-p bonding promoted the oxidation of CO at the Pd sites, and improved the ability to resist CO poisoning. As a result, enhanced catalytic performance was indicated.

