Quantum Monte Carlo Approach for Determining the Activation Barrier of Water Addition to Carbon Monoxide Adsorbed on Pt(111) within 1 kJ/mol
Author:
Affiliation:
1. Institut Pascal, UMR 6602 CNRS, BP 80026, Aubiere Cedex 63178, France
2. Physics Department, Tampere University, Tampere 33014, Finland
Publisher
American Chemical Society (ACS)
Subject
Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.0c07304
Reference39 articles.
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5. Mechanism of the Water Gas Shift Reaction on Pt: First Principles, Experiments, and Microkinetic Modeling
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