Electronic structures and transport properties of sulfurized carbon nanotubes |
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| Authors: | B. Xu Y.P. Feng |
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| Affiliation: | 1. Department of Physics, National University of Singapore, 2 Science Drive 3, 117542, Singapore;2. College of Physics and Communication Electronics, Jiangxi Normal University, Nanchang, Jiangxi 330022, PR China;1. School of science, Wuhan University of Technology, Wuhan 430070 PR China;2. Material Science and Chemistry Engineering College,China University of Geosciences, Wuhan, 430074, PR China;1. Åbo Akademi University, Process Chemistry Centre, Department of Chemical Engineering, Laboratory of Analytical Chemistry, FI-20500 Turku, Finland;2. University of Turku, Turku University Centre for Materials and Surfaces (MATSURF), Laboratory of Materials Chemistry and Chemical Analysis, FI-20014 Turku, Finland;3. Budapest University of Technology and Economics, Department of Inorganic and Analytical Chemistry Research Group of Technical Analytical Chemistry, MTA-BME “Lendület” Chemical Nanosensors Research Group, H-1111 Budapest, Szt. Gellért tér 4, Hungary;1. Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, Akad. Lavrentiev Prospekt 3, 630090 Novosibirsk, Russian Federation;2. Novosibirsk State University, Pirogova str. 2, 630090 Novosibirsk, Russian Federation;3. Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, Akad. Lavrentiev Prospekt 5, 630090 Novosibirsk, Russian Federation |
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| Abstract: | The electronic and transport properties of side-walled sulfurized (8, 0) zigzag carbon nanotube were investigated by using density functional theory coupled with a non-equilibrium Green function approach. It is found that the adsorption of the sulfur chains largely reduces the bandgap of the semiconducting (8, 0) carbon nanotube, even changing it into a metallic one. More importantly, the transmission eigenstates around the Fermi level are contributed by not only the sulfur chains but also the complex system made of the sulfur chains and the single-walled carbon nanotube. Our results provide a method to improve the conductivity and utilization rate of the surface in the electrodes of supercapacitor which are made of the carbon nanotubes. |
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