Electronic properties of Ag- and CrO3-filled single-wall carbon nanotubes

被引：62
作者：
Fagan, SB
Souza, AG
Mendes, J
Corio, P
Dresselhaus, MS
机构：
[1] Univ Fed Ceara, Dept Fis, BR-60455900 Fortaleza, Ceara, Brazil
[2] Ctr Univ Franciscano, Dept Ciencias Exatas, BR-97010032 Santa Maria, RS, Brazil
[3] Univ Sao Paulo, Inst Quim, BR-05508900 Sao Paulo, Brazil
[4] MIT, Dept Phys, Cambridge, MA 02139 USA
[5] MIT, Dept Elect Engn & Comp Sci, Cambridge, MA 02139 USA
来源：
CHEMICAL PHYSICS LETTERS | 2005年 / 406卷 / 1-3期
基金：
巴西圣保罗研究基金会; 美国国家科学基金会;
关键词：
D O I：
10.1016/j.cplett.2005.02.091
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
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. (c) 2005 Elsevier B.V. All rights reserved.
引用
收藏
页码：54 / 59
页数：6
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