CO adsorption on a zigzag SiC nanotube: effects of concentration density and local torsion on transport
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- 作者：Jian-ming Jia ; Shin-pon Ju ; Da-ning Shi ; Kuan-fu Lin
- 关键词：SiC nanotube ; CO molecules ; Adsorption ; Transport property
- 刊名：Journal of Nanoparticle Research
- 出版年：2013
- 出版时间：October 2013
- 年：2013
- 卷：15
- 期：10
- 全文大小：660KB
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Shin-pon Ju (3)
Da-ning Shi (2)
Kuan-fu Lin (3)
1. Department of Physics & Jiangsu Key Laboratory for Chemistry of Low-Dimensional Materials, Huaiyin Normal University, Huaian, 223300, Jiangsu, China
2. Department of Physics, Nanjing University of Aeronautics and Astronautics, Nanjing, 210016, China
3. Department of Mechanical and Electro-Mechanical Engineering, Center for Nanoscience and Nanotechnology, National Sun Yat-sen University, Kaohsiung, 80424, Taiwan, ROC - ISSN：1572-896X
文摘
The electron transport properties of CO adsorbed SiC nanotubes as a function of concentration density and structural deformation have been characterized for the single-walled (7,0) zigzag model using a combined formalism of density-functional theory and nonequilibrium Green’s function. It is found that CO adsorption can significantly suppress the transmission spectrum of SiC nanotube for a wide range of energies. As the concentration increases, a density-dependent superimposed transport gap exists and widens the initial electronic band gap of SiC nanotube. Under the same applied bias voltage, the current through SiC nanotube decreases with the increasing CO concentrations. The local torsional deformation has no effect on this essential motif. However, the current in the locally twisted system is larger than that of the undeformed one. The transmission suppression and the current differences can be attributed to the response of the localized impurity state induced by CO adsorption to density and deformation. Our results show that SiC nanotube can be a promising gas sensor for CO detection.