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Updated: Sep 20, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Promotional Effect of H2 Pretreatment on the CO PROX Performance of Pt1/Co3O4: A First-Principles-Based Microkinetic

Zhang Liu1,2, Jiaqiang Yang1, Yanwei Wen1

  • 1State Key Laboratory of Materials Processing and Die and Mould Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology, Wuhan 430074, P.R. China.

ACS Applied Materials & Interfaces
|June 8, 2022
PubMed

Keywords:
CO PROXH2 pretreatmentPt1/Co3O4first-principlesmicrokinetic analysis

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