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Updated: Sep 14, 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

A Theoretical Approach to the Effect of Substrate Engineering on Hydrogen-Metal Surface Coverage in Ir-Pt

Farid Taherkhani1,2, Fabian Mauss1,2

  • 1Departments of Thermodynamics and Thermal Process Engineering Brandenburg University of Technology, Cottbus 03046, Germany.

ACS Omega
|September 12, 2026
PubMed

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