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Interplaying coordination and ligand effects to break or make adsorption‐energy scaling relations

The linear relations between adsorption energies are one of the cornerstones of contemporary catalysis in view of the simplicity and predictive power of the computational models built upon them. Despite their extensive use, the exact nature of scaling relations is not yet fully understood, and a com...

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Detalles Bibliográficos
Autores principales: Brito‐Ravicini, Alvaro, Calle‐Vallejo, Federico
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10191023/
https://www.ncbi.nlm.nih.gov/pubmed/37323882
http://dx.doi.org/10.1002/EXP.20210062