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|Type:||Artigo de periódico|
|Title:||Electronic properties of FeCl3-adsorbed single-wall carbon nanotubes|
|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.|
|Editor:||Amer Physical Soc|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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