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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...
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Publicado en: | Beilstein J Nanotechnol |
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Autores principales: | , , , |
Formato: | Artigo |
Lenguaje: | Inglês |
Publicado: |
Beilstein-Institut
2017
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Materias: | |
Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5704758/ https://ncbi.nlm.nih.gov/pubmed/29234584 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3762/bjnano.8.248 |
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