Tuning the electronic transport properties for a trigonal graphene flake

被引：15

作者：

Deng, Xiaoqing ^{[1
]}

Tang, Guiping ^{[1
]}

Guo, Chao ^{[1
]}

机构：

[1] Changsha Univ Sci & Technol, Sch Phys & Elect Sci, Changsha 410004, Hunan, Peoples R China

来源：

PHYSICS LETTERS A | 2012年 / 376卷 / 23期

基金：

中国国家自然科学基金;

关键词：

Electronic transport; Graphene quantum dot; Density-functional theory; RESISTANCE; NANOTUBES; MOLECULE;

D O I：

10.1016/j.physleta.2012.04.021

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

By applying nonequilibrium Green's functions in combination with density-functional theory, we have investigated the effects of two side groups, NH2 and NO2, on the electronic transport properties of the trigonal graphene flake. It has been found that the rectifying ratios (RR) and direction can be significantly tuned by the type and the attached positions of side groups. The NH2 group shows an obvious electron-donating characteristic, whereas NO2 group demonstrates a poorly electron-accepting behavior in these systems. The analysis on the spatial distribution and the energy level of frontier orbitals, transmission spectra, and electrostatic potential distribution give an inside view of the observed results. (C) 2012 Elsevier B.V. All rights reserved.

引用

页码：1839 / 1844

页数：6

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