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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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書目詳細資料
發表在:Beilstein J Nanotechnol
Main Authors: Baby, Anu, Lin, He, Brivio, Gian Paolo, Floreano, Luca, Fratesi, Guido
格式: Artigo
語言:Inglês
出版: Beilstein-Institut 2015
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在線閱讀: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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