Analysis of Bonding between Conjugated Organic Molecules and Noble Metal Surfaces Using Orbital Overlap Populations

The electronic structure of metal−organic interfaces is of paramount importance for the properties of organic electronic and single-molecule devices. Here, we use so-called orbital overlap populations derived from slab-type band-structure calculations to analyze the covalent contribution to the bond...

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Detalles Bibliográficos
Autores principales: Rangger, Gerold M., Romaner, Lorenz, Hofmann, Oliver T., Heimel, Georg, Ramsey, Michael G., Zojer, Egbert
Formato: Texto
Lenguaje:English
Publicado: American Chemical Society 2010
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2976570/
https://www.ncbi.nlm.nih.gov/pubmed/21072328
http://dx.doi.org/10.1021/ct100449c

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2976570/
https://www.ncbi.nlm.nih.gov/pubmed/21072328
http://dx.doi.org/10.1021/ct100449c

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