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Screening of Water Dipoles Inside Finite-Length Armchair Carbon Nanotubes

The electronic structure and dielectric screening of finite-length armchair carbon nanotubes are studied with both tight-binding and ab initio methods. Good agreement is found in the band gap oscillation patterns and dielectric constants, which validates the tight-binding method as a reliable and fa...

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Detalhes bibliográficos
Main Authors: Li, Yan, Lu, Deyu, Schulten, Klaus, Ravaioli, Umberto, Rotkin, Slava V.
Formato: Artigo
Idioma:Inglês
Publicado em: 2005
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2572853/
https://ncbi.nlm.nih.gov/pubmed/18958297
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10825-005-7130-9
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