Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/64536
Type: Artigo de periódico
Title: Electronic properties of FeCl3-adsorbed single-wall carbon nanotubes
Author: Guerini, S
Souza, AG
Mendes, J
Alves, OL
Fagan, SB
Abstract: The structural and electronic properties of FeCl3 interacting with single-wall carbon nanotubes (SWNTs) were investigated by ab initio methods. By using first-principles spin-polarized calculations, we studied the structural and electronic behavior of FeCl3 adsorbed on both semiconducting and metallic SWNTs. It was found that the FeCl3 molecule behaves as an electron acceptor. The binding energy is very small, thus suggesting that the interaction is through a physisorption regime.
Country: EUA
Editor: Amer Physical Soc
Rights: aberto
Identifier DOI: 10.1103/PhysRevB.72.233401
Date Issue: 2005
Appears in Collections:Unicamp - Artigos e Outros Documentos

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