Laboratory for Integrated

Micro-Mechatronic Systems

S Milad Hatam-Lee and Ali Rajabpour and Sebastian Volz

Tremendous experimental and theoretical attempts to find carbon based two-dimensional semiconductors have yielded a wide variety of graphene polymorphs, such as carbon-nitride, carbon-boride, graphyne and graphdiyne 2D materials with highly attractive physical and chemical properties. In this study, by conducting extensive non-equilibrium molecular dynamics simulations, we have calculated and compared the thermal conductivity of fifteen prominent carbon-based structures at different lengths and two main chirality directions. Acquired results show that the structures of C3N, C3B and C2N exhibit the highest thermal conductivity, respectively, which suggest them as suitable candidates for thermal management systems in order to enhance the heat dissipation rates. In contrast, generally graphdiyne lattices and in particular 18-6-Gdy graphdiyne yield the lowest thermal conductivity, which can be a promising …

Thermal conductivity of graphene polymorphs and compounds: From C3N to graphdiyne lattices
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