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Translation of metal-phthalocyanines adsorbed on Au(111): from van der Waals interaction to strong electronic correlation
Using first-principles calculations, we investigate the binding energy for six transition metal - phthalocyanine molecules adsorbed on Au(111). We focus on the effect of translation on molecule - surface physical properties; van der Waals interactions as well as the strong correlation in d orbitals...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Nature Publishing Group UK
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6109120/ https://www.ncbi.nlm.nih.gov/pubmed/30143696 http://dx.doi.org/10.1038/s41598-018-31147-5 |