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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2022
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| Materias: | |
| 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 |