作者
Solange B Fagan, Antônio Gomes de Souza Filho, Josué Mendes Filho, Paola Corio, MS Dresselhaus
发表日期
2005/4/23
期刊
Chemical physics letters
卷号
406
期号
1-3
页码范围
54-59
出版商
North-Holland
简介
The structural and electronic charge distributions of single-wall carbon nanotubes (SWNTs) chemically modified with Ag and CrO3 were investigated by ab initio methods. Using first-principles spin-polarized calculations, we studied the structural and electronic behavior of Ag atoms and CrO3 molecules interacting with an (8,0) semiconducting SWNT. We have found that the Ag atom behaves as an electron donor and the CrO3 as an electron acceptor in the presence of the SWNT. Resonance Raman experiments performed on Ag and CrO3-adsorbed SWNTs confirm the donor and acceptor behavior, respectively.
引用总数
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SB Fagan, AG Souza Filho, J Mendes Filho, P Corio… - Chemical physics letters, 2005