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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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Dettagli Bibliografici
Pubblicato in:Beilstein J Nanotechnol
Autori principali: Baby, Anu, Lin, He, Brivio, Gian Paolo, Floreano, Luca, Fratesi, Guido
Natura: Artigo
Lingua:Inglês
Pubblicazione: Beilstein-Institut 2015
Soggetti:
Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC4685921/
https://ncbi.nlm.nih.gov/pubmed/26734516
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3762/bjnano.6.230
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