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Core-level spectra and molecular deformation in adsorption: V-shaped pentacene on Al(001)

By first-principle simulations we study the effects of molecular deformation on the electronic and spectroscopic properties as it occurs for pentacene adsorbed on the most stable site of Al(001). The rationale for the particular V-shaped deformed structure is discussed and understood. The molecule–s...

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Detalles Bibliográficos
Autores principales: Baby, Anu, Lin, He, Brivio, Gian Paolo, Floreano, Luca, Fratesi, Guido
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Beilstein-Institut 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4685921/
https://www.ncbi.nlm.nih.gov/pubmed/26734516
http://dx.doi.org/10.3762/bjnano.6.230