Spectral phonon thermal properties in graphene nanoribbons |
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| Affiliation: | 1. Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Department of Engineering Mechanics, Tsinghua University, Beijing 100084, PR China;2. School of Mechanical Engineering and the Birck Nanotechnology Center, Purdue University, West Lafayette, IN 47907-2088, USA;1. State Laboratory of Hydraulic Machinery Transients (Wuhan Univ.), MOE, Wuhan 430072, China;2. School of Power and Mechanical Engineering, Wuhan University, Wuhan, Hubei 430072, China;3. Holland Computing Center, University of Nebraska-Lincoln, Lincoln, NE 68588, USA;4. Department of Mechanical Engineering, Iowa State University, Ames, IA 50010, USA;1. Center for Phononics and Thermal Energy Science, School of Physics Science and Engineering, Institute for Advanced Study, Tongji University, Shanghai, 200092, People''s Republic of China;2. China–EU Joint Lab for Nanophononics, School of Physics Science and Engineering, Tongji University, Shanghai, 200092, People''s Republic of China;3. Shanghai Key Laboratory of Special Artificial Microstructure Materials and Technology, School of Physics Science and Engineering, Tongji University, Shanghai, 200092, People''s Republic of China;4. State Key Laboratory of Coal Combustion, Huazhong University of Science and Technology (HUST), Wuhan, 430074, People''s Republic of China;5. Nano Interface Center for Energy (NICE), School of Energy and Power Engineering, Huazhong University of Science and Technology (HUST), Wuhan, 430074, People''s Republic of China;6. Department of Mechanical Engineering, University of Colorado, Boulder, CO, 80309, USA;1. Beijing Advanced Innovation Center for Materials Genome Engineering, University of Science and Technology Beijing, Beijing, 100083, China;2. Corrosion and Protection Center, University of Science and Technology Beijing, Beijing, 100083, China;3. School of Mathematics and Physics, Bohai University, Jinzhou, 121013, China;4. QTF Centre of Excellence, Department of Applied Physics, Aalto University, FI-00076, Aalto, Finland;5. Department of Physics, University of Science and Technology Beijing, Beijing, 100083, China;6. Center for Interdisciplinary Mathematical Modeling and Departments of Mathematical Sciences and Physics, Loughborough University, Loughborough, Leicestershire, LE11 3TU, UK;1. State Key Laboratory of Bioelectronics, National Demonstration Centre for Experimental Biomedical Engineering Education, School of Biological Science and Medical Engineering, Southeast University, Nanjing 210096, China;2. Southeast University Jiangbei New Area Innovation Institute, Nanjing 210096, China;3. School of Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, China |
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| Abstract: | This work provides a comprehensive investigation on the spectral phonon properties in graphene nanoribbons (GNRs) by the normal mode decomposition (NMD) method, considering the effects of edge chirality, width, and temperature. We find that the edge chirality has no significant effect on the phonon relaxation time but has a large influence to the phonon group velocity. As a result, the thermal conductivity of around 707 W/(m K) in the 4.26 nm-wide zigzag GNR at room temperature is higher than that of 467 W/(m K) in the armchair GNR with the same width. As the width decreases or the temperature increases, the thermal conductivity reduces significantly due to the decreasing relaxation times. Good agreement is achieved between the thermal conductivities predicted from the Green–Kubo method and the NMD method. We find that optical phonons dominate the thermal transport in the GNRs while the relative contribution of acoustic phonons to the thermal conductivity is only 10.1% and 13% in the zigzag GNR and the armchair GNR, respectively. Interestingly, the ZA mode is found to contribute only 1–5% to the total thermal transport in GNRs, being much lower than that of 30–70% in single layer graphene. |
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