Functionalized Metallic Single-Walled Carbon Nanotubes as a High-Performance Single-Molecule Organic Field Effect Transistor: An ab Initio Study

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• 作者：Hong Li ; Xin Yan ; Guangfu Luo ; Rui Qin ; Qihang Liu ; Lili Yu ; Chengyong Xu ; Jiaxin Zheng ; Jing Zhou ; Jing Lu ; Zhengxiang Gao ; Shigeru Nagase ; Wai Ning Mei
• 刊名：Journal of Physical Chemistry C
• 出版年：2010
• 出版时间：September 23, 2010
• 年：2010
• 卷：114
• 期：37
• 页码：15816-15822
• 全文大小：409K
• 年卷期：v.114,no.37(September 23, 2010)
• ISSN：1932-7455

文摘

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.