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Study on Thermal Conduction Mechanism of Graphene-Like Carbon Nitride Structure (C3N)

Shen Kai-Bo, Ren Guo-Liang, Liu Yong-Jia, Liu Ying-Guang, 1. Instrumental Analysis Center, Shanghai Jiao Tong University, Shanghai, 200240, China;, 2. School of Energy, Power and Mechanical Engineering, North China Electric Power University, Baoding 071003, China;, 3. School of Material Science and Engineering, Shanghai Jiao Tong University, Shanghai, 200240, China
2023 Wuli xuebao  

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As a new graphene-based two-dimensional semiconductor material, C<sub>3</sub>N has attracted extensive attention from researchers due to its excellent mechanical and electronic properties.Whether there are differences in the phonon transport mechanism of different C<sub>3</sub>N structures remains to be further investigated.Therefore,four kinds of C<sub>3</sub>N with different patterns were constructed in this paper, and their thermal conduction mechanism was studied by the non-equilibrium
more » ... ular dynamics (NEMD) method. The research results show that:(1) Among the four patterns,the C<sub>3</sub>N (M3) with the perfect structure has the highest thermal conductivity,followed by M1,and the lowest thermal conductivity of M4.(2) Moreover,the thermal conductivity of C<sub>3</sub>N with different patterns has obvious size and temperature effects.When the sample length is short,the phonon transport is mainly ballistic transport,while diffusion transport dominates the heat transport when the sample length is further increased.As the temperature increases,Umklapp scattering dominates the heat transport,making the thermal conductivity and temperature show a 1/<i>T</i> trend.(3) Compared with the M3,the patterns of M1 and M4 have larger phonon band gaps,and their dispersion curves are further softened.At the same time,regardless of low-frequency or high-frequency phonons,localized features appear in t M1 and M4(especially the M4),which has a significant inhibitory effect on thermal conductivity.This paper provides an idea for better design of thermal management materials.
doi:10.7498/aps.72.20221441 fatcat:l2z4cg33m5dnbfy5e3xzna7z3a
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Shen Kai-Bo, Ren Guo-Liang, Liu Yong-Jia, Liu Ying-Guang, 1. Instrumental Analysis Center, Shanghai Jiao Tong University, Shanghai, 200240, China;, 2. School of Energy, Power and Mechanical Engineering, North China Electric Power University, Baoding 071003, China;, 3. School of Material Science and Engineering, Shanghai Jiao Tong University, Shanghai, 200240, China. "Study on Thermal Conduction Mechanism of Graphene-Like Carbon Nitride Structure (C3N)." Wuli xuebao 0.0 (2023)