Intrinsic current–voltage characteristics of metal-carbon nanotube networks: A first-principles study |
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| Institution: | 1. School of Physics and State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, Shandong, China;2. Institute of Nuclear Energy Technology, Tsinghua University, Beijing 100084, China;1. Giresun University, Faculty of Engineering, Energy Systems Engineering, 28200, Giresun, Turkey;2. Giresun University, Faculty of Engineering, Environmental Engineering, 28200, Giresun, Turkey;3. Gazi University, Faculty of Arts and Sciences, Physics Department, 06500 Ankara, Turkey;1. Department of Chemistry, Fu Jen Catholic University, New Taipei City 24205, Taiwan, ROC;2. Department of Opto-Electronic Engineering, National Dong Hwa University, Hualien 97401, Taiwan, ROC;1. Beijing Key Lab of Nanophotonics and Ultrafine Optoelectronic Systems, School of Physics, Beijing Institute of Technology, Beijing 100081, PR China;2. State Key Lab of Transducer Technology, Chinese Academy of Sciences, PR China;3. Beijing Key Lab of Nanophotonics and Ultrafine Optoelectronic Systems, School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081, PR China |
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| Abstract: | The interconnections involving metal atoms in single-walled carbon nanotube (SWNT) networks are crucial for building nanoscaled devices. The influence of the metal-(η6-SWNT) interconnects in the electrical conductivity of SWNT film have been reported in recent experiments X. Tian et al. Nano lett. 2014,14,3930]. Using non-equilibrium Green's function with density function theory, we performed theoretical calculations on the electron transport properties of (Cr, Li, Au)-SWNT systems. We revealed the roles of transition metal Cr, alkalis metal Li and inert metal Au in improving the electrical conductance of metal-SWNT systems. Our calculated results show that transport properties along the inter-tube direction are strongly dependent on the connecting metal atoms varying over many orders of magnitudes. Gold atoms fail to enhance the electrical conductance of SWNT systems. Meanwhile, negative differential resistances are demonstrated in semiconducting inter-tube models, which would have potential applications in the electronic device. Our results provide a promising way to optimize the performance of SWNT based networks. |
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| Keywords: | Electron transport properties Non-equilibrium Green's function SWNT Current–voltage characteristic |
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