Band engineering of oxygen doped single-walled carbon nanotubes

被引：18
|
作者：
Suggs, Kelvin [2 ,3 ]
Person, Vernecia [2 ,3 ]
Wang, Xiao-Qian [1 ,2 ]
机构：
[1] Clark Atlanta Univ, Dept Phys, Atlanta, GA 30314 USA
[2] Clark Atlanta Univ, Ctr Funct Nanoscale Mat, Atlanta, GA 30314 USA
[3] Clark Atlanta Univ, Dept Chem, Atlanta, GA 30314 USA
来源：
NANOSCALE | 2011年 / 3卷 / 06期
基金：
美国国家科学基金会;
关键词：
SIDEWALL FUNCTIONALIZATION; ELECTRONIC-PROPERTIES; GRAPHENE; IMMOBILIZATION; TRANSISTORS;
D O I：
10.1039/c1nr10180c
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
We have studied the electronic characteristics of chemically modified single-walled carbon nanotubes by oxygen doping using first-principles density-functional calculations. The oxygen doping, a controlled [2 + 1] cycloaddition scheme, is shown to modify the p-conjugation and impact on the near-infrared band gaps. The implications of tailoring the electronic structure of oxygen doped carbon nanomaterials for future device applications are discussed.
引用
收藏
页码：2465 / 2468
页数：4
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