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The effect of translation on the binding energy for transition-metal porphyrines adsorbed on Ag(111) surface
The characteristics of interaction between six transition-metal porphyrines and the Ag(111) surface are detailed here as resulted from DFT calculations. Van der Waals interactions as well as the strong correlation in 3d orbitals of transition metals were taken into account in all calculations, inclu...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Beilstein-Institut
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6423576/ https://www.ncbi.nlm.nih.gov/pubmed/30931212 http://dx.doi.org/10.3762/bjnano.10.70 |