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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Bibliographic Details
Published in:Beilstein J Nanotechnol
Main Authors: Baby, Anu, Lin, He, Brivio, Gian Paolo, Floreano, Luca, Fratesi, Guido
Format: Artigo
Language:Inglês
Published: Beilstein-Institut 2015
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Online Access: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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