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Updated: Aug 8, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Impact of Hydrogen Coverage Trend on Methyl Formate Adsorption on MoS2 Surface: A First Principles Study

Samuel E P P Masan1,2, Febdian Rusydi2,3, Wahyu A E Prabowo4,2

  • 1Department of Precision Engineering, Graduate School of Engineering, Osaka University, 565-0871 Osaka, Japan.

ACS Omega
|February 27, 2023
PubMed

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