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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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Bibliografiska uppgifter
I publikationen:Beilstein J Nanotechnol
Huvudupphovsmän: Baby, Anu, Lin, He, Brivio, Gian Paolo, Floreano, Luca, Fratesi, Guido
Materialtyp: Artigo
Språk:Inglês
Publicerad: Beilstein-Institut 2015
Ämnen:
Länkar: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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