ArticlePrecision chemistry2025
Ring Polymer Molecular Dynamics Rates for Hydrogen Recombinative Desorption on Pt(111).
Article in Precision chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
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Who cites it
3 citing papers in PubMed.
- First principles reactive flux theory for surface reactions revealing multiple channels and recrossing dynamics.Nature communications · 2026Article
- Determination of coverage-dependent surface reaction rates using λ-dynamics: Application to molecular desorption.The journal of physical chemistry. C, Nanomaterials and interfaces · 2026Article
- An Experimental Benchmark for the Barrier Height of an On-Surface Reaction: Hydrogen Oxidation on Pt(332).Journal of the American Chemical Society · 2025Article
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Authors and funding
5 authors.
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Abstract
The ring polymer molecular dynamics (RPMD) rate theory, which is capable of handling nuclear quantum effects such as zero-point energy and tunneling, is applied to the recombinative desorption (RD) of adsorbed hydrogen atoms on a Pt(111) surface, a fundamental surface reaction crucial in heterogeneous catalysis. Recent experiments have provided highly accurate measurements of hydrogen RD rates, offering rare benchmarks for theoretical predictions. The RPMD rate coefficients of H
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