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Adsorption of iron tetraphenylporphyrin on (111) surfaces of coinage metals: a density functional theory study
The adsorption of the iron tetraphenylporphyrin (FeTPP) molecule in its deckchair conformation was investigated on Au(111), Ag(111) and Cu(111) surfaces by performing spin-polarized density functional theory (DFT) calculations taking into account both van der Waals (vdW) interaction and on-site Coul...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Beilstein-Institut
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5704758/ https://www.ncbi.nlm.nih.gov/pubmed/29234584 http://dx.doi.org/10.3762/bjnano.8.248 |