Adsorbate chemical environment-based machine learning framework for heterogeneous catalysis

Heterogeneous catalytic reactions are influenced by a subtle interplay of atomic-scale factors, ranging from the catalysts’ local morphology to the presence of high adsorbate coverages. Describing such phenomena via computational models requires generation and analysis of a large space of atomic con...

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Detalles Bibliográficos
Autores principales: Ghanekar, Pushkar G., Deshpande, Siddharth, Greeley, Jeffrey
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9527237/
https://www.ncbi.nlm.nih.gov/pubmed/36184625
http://dx.doi.org/10.1038/s41467-022-33256-2

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9527237/
https://www.ncbi.nlm.nih.gov/pubmed/36184625
http://dx.doi.org/10.1038/s41467-022-33256-2

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