Thermal conduction mechanism of graphene-like carbon nitride structure (C<sub>3</sub>N)
نویسندگان
چکیده
As a new graphene-based two-dimensional semiconductor material, C<sub>3</sub>N has received extensive attention from researchers due to its excellent mechanical and electronic properties. Whether there is any difference in the phonon transport mechanism among different structures remains be further investigated. Therefore, four kinds of with patterns are constructed this paper, their thermal conduction mechanisms studied by non-equilibrium molecular dynamics (NEMD) method. The research results shown as follows. 1) Among these patterns, (M3) perfect structure highest conductivity, followed M1, M4 lowest conductivity. 2) Moreover, conductivities have obviously size temperature effects. When sample length short, mainly ballistic transport, while diffusion dominates heat when increases. increases, Umklapp scattering making conductivity show 1/<i>T</i> trend. 3) Comparing M3 , M1 large band gaps, dispersion curves softened. At same time, regardless low-frequency or high-frequency phonons, localized features appear (especially M4), which significant inhibitory effect on This paper provides an idea for better design management materials.
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ژورنال
عنوان ژورنال: Chinese Physics
سال: 2023
ISSN: ['1000-3290']
DOI: https://doi.org/10.7498/aps.72.20221441