ArticleThe journal of physical chemistry. C, Nanomaterials and interfaces2024
Coverage- and Facet-Dependent Multiscale Modeling of O* and H* Adsorption on Pt Catalytic Nanoparticles.
Article in The journal of physical chemistry. C, Nanomaterials and interfaces, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
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Who cites it
1 citing paper in PubMed.
- Extending the mean-field microkinetics for an accurate and efficient modeling of complex heterogeneous catalyst surfaces.Nature communications · 2026Article
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Within computational heterogeneous catalysis, two critical factors exist-coverage and multifaceted effects-which are challenging to incorporate and contribute to differences between the results obtained from computational and experimental studies. Such disparities exist when significant adsorbate-adsorbate interactions are present, particularly when coupled with computationally limited facet sampling. Here, we designed a study to demonstrate the significance of coverage and facet effects on the predicted coverages for O* and H* on Pt nanoparticles. This is accomplished by employing multiscale modeling techniques using a three-pronged approach consisting of density functional theory (DFT),
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Registered trials
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