Transport properties and mechanism of C60 coupled to carbon nanotube electrode |
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Authors: | Guo-Ying TuDa-Peng Guo Bing-Rui Li Hao-Li Zhang |
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Institution: | State Key Laboratory of Applied Organic Chemistry (SKLAOC), College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000, People''s Republic of China |
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Abstract: | By applying non-equilibrium Green's functions in combination with density-functional theory, we investigate electronic transport properties of C60 coupled to carbon nanotubes and Li electrodes. The results show that electronic transport properties of CNT-C60-CNT and Li-C60-Li systems are completely different. Nonlinear I-V characteristic, varistor-type behavior and negative differential resistance (NDR) phenomenon are observed when electrodes are carbon nanotubes. We discuss the mechanism of I-V characteristics of CNT-C60-CNT systems in details. Our results suggest conductance, energy level of Frontier molecular orbitals, energy gap between HOMO and LUMO, the coupling between molecular orbitals and electrodes are all playing critical roles in electronic transport properties. |
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Keywords: | Transport properties NEGF-DFT C60 CNT |
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