Title Functionalized Metallic Single-Walled Carbon Nanotubes as a High-Performance Single-Molecule Organic Field Effect Transistor: An ab Initio Study
Authors Li, Hong
Yan, Xin
Luo, Guangfu
Qin, Rui
Liu, Qihang
Yu, Lili
Xu, Chengyong
Zheng, Jiaxin
Zhou, Jing
Lu, Jing
Gao, Zhengxiang
Nagase, Shigeru
Mei, Wai Ning
Affiliation Peking Univ, State Key Lab Mesoscop Phys, Beijing 100871, Peoples R China.
Peking Univ, Dept Phys, Beijing 100871, Peoples R China.
Natl Inst Nat Sci, Inst Mol Sci, Dept Theoret Mol Sci, Okazaki, Aichi 4448585, Japan.
Univ Nebraska, Dept Phys, Omaha, NE 68182 USA.
Keywords CHEMICAL FUNCTIONALIZATION
ELECTRONIC-STRUCTURE
COVALENT FUNCTIONALIZATION
SIDEWALL FUNCTIONALIZATION
GRAPHENE
Issue Date 2010
Publisher journal of physical chemistry c
Citation JOURNAL OF PHYSICAL CHEMISTRY C.2010,114,(37),15816-15822.
Abstract We propose a novel single-molecule organic field effect transistor (FET) fabricated via covalent functionalization of an individual metallic single-walled carbon nanotube (SWCNT). The transfer characteristic of this FET is calculated by using ab initio quantum transport calculations. Because of the significantly reduced screening effect of the quasi-one-dimensional electrode and seamless connection between the electrode and scattering region, the optimized device shows an excellent overall performance over the experimental single-molecule organic field effect transistors. This renders functionalized metallic SWCNTs a promising candidate for a high-performance single-molecule organic field effect transistor.
URI http://hdl.handle.net/20.500.11897/148689
ISSN 1932-7447
DOI 10.1021/jp106535q
Indexed SCI(E)
EI
Appears in Collections: 人工微结构和介观物理国家重点实验室

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