The Magnetic Behaviour of CoTPP Supported on Coinage Metal Surfaces in the Presence of Small Molecules: A Molecular Cluster Study of the Surface trans-Effect

Density functional theory, combined with the molecular cluster model, has been used to investigate the surface trans-effect induced by the coordination of small molecules L (L = CO, NH(3), NO, NO(2) and O(2)) on the cobalt electronic structure of cobalt tetraphenylporphyrinato (CoTPP) surface-suppor...

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Detalles Bibliográficos
Autores principales: Carlotto, Silvia, Cojocariu, Iulia, Feyer, Vitaliy, Floreano, Luca, Casarin, Maurizio
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8778902/
https://www.ncbi.nlm.nih.gov/pubmed/35055236
http://dx.doi.org/10.3390/nano12020218

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8778902/
https://www.ncbi.nlm.nih.gov/pubmed/35055236
http://dx.doi.org/10.3390/nano12020218

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