Differences in solvation thermodynamics of oxygenates at Pt/Al(2)O(3) perimeter versus Pt(111) terrace sites

A prominent role of water in aqueous-phase heterogeneous catalysis is to modify free energies; however, intuition about how is based largely on pure metal surfaces or even homogeneous solutions. Using multiscale modeling with explicit liquid water molecules, we show that the influence of water on th...

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Detalles Bibliográficos
Autores principales: Garcia Carcamo, Ricardo A., Zhang, Xiaohong, Estejab, Ali, Zhou, Jiarun, Hare, Bryan J., Sievers, Carsten, Sarupria, Sapna, Getman, Rachel B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9900392/
https://www.ncbi.nlm.nih.gov/pubmed/36756373
http://dx.doi.org/10.1016/j.isci.2023.105980

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9900392/
https://www.ncbi.nlm.nih.gov/pubmed/36756373
http://dx.doi.org/10.1016/j.isci.2023.105980

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