Rectifying Properties of a Nitrogen/Boron-Doped Capped-Carbon-Nanotube-Based Molecular Junction

被引：2
|
作者：
Zhao Peng [1 ]
Liu De-Sheng [2 ,3 ]
Zhang Ying [1 ]
Wang Pei-Ji [1 ]
Zhang Zhong [1 ]
机构：
[1] Univ Jinan, Sch Sci, Jinan 250022, Peoples R China
[2] Shandong Univ, Sch Phys, Jinan 250100, Peoples R China
[3] Jining Univ, Dept Phys, Qufu 273155, Peoples R China
来源：
CHINESE PHYSICS LETTERS | 2011年 / 28卷 / 04期
基金：
中国国家自然科学基金;
关键词：
ELECTRONIC TRANSPORT; EMISSION PROPERTIES; RESISTANCE; SYSTEMS; SWITCH;
D O I：
10.1088/0256-307X/28/4/047301
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
Based on the non-equilibrium Green's function method and first-principles density functional theory calculations, we investigate the electronic transport properties of a nitrogen/boron-doped capped-single-walled carbon-nanotube-based molecular junction. Obvious rectifying behavior is observed and it is strongly dependent on the doping site. The best rectifying performance can be carried out when the nitrogen/boron atom dopes at a carbon site in the second layer. Moreover, the rectifying performance can be further improved by adjusting the distance between the C-60 nanotube caps.
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页数：4
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