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Carbon-nitride 2D nanostructures: thermal conductivity and interfacial thermal conductance with the silica substrate

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Abstract

The rate of heat dissipation from a 2D nanostructure strongly depends on the interfacial thermal conductance with its substrate. In this paper, the interfacial thermal conductance of carbon-nitride 2D nanostructures (C3N, C2N, C3N4's) with silica substrates was investigated using transient molecular dynamics simulations. It was found that a 2D nanostructure with higher thermal conductivity, has a lower value of interfacial thermal conductance with the silica substrate. The thermal conductivity of suspended carbon-nitride 2D nanostructures was also calculated using the Green–Kubo formalism and compared with that of graphene as a reference structure. It was found that the thermal conductivities of C3N, C2N, C3N4 (s-triazine) and C3N4 (tri-triazine) are respectively 62%, 4%, 4% and 2% that of graphene; while their interfacial thermal conductances with silica are 113%, 171%, 212% and 188% that of graphene. These different behaviors of the thermal conductivity and the interfacial thermal conductance with the substrate may be important in the thermal management of carbon-nitride 2D nanostructures in nanoelectronics.

Graphical abstract: Carbon-nitride 2D nanostructures: thermal conductivity and interfacial thermal conductance with the silica substrate

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Publication details

The article was received on 11 Nov 2018, accepted on 07 Jan 2019 and first published on 07 Jan 2019


Article type: Paper
DOI: 10.1039/C8CP06992A
Citation: Phys. Chem. Chem. Phys., 2019, Advance Article
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    Carbon-nitride 2D nanostructures: thermal conductivity and interfacial thermal conductance with the silica substrate

    A. Rajabpour, S. Bazrafshan and S. Volz, Phys. Chem. Chem. Phys., 2019, Advance Article , DOI: 10.1039/C8CP06992A

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