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  • Title: Graphene-carbon nitride interface-geometry effects on thermal rectification: a molecular dynamics simulation.
    Author: Farzadian O, Spitas C, Kostas KV.
    Journal: Nanotechnology; 2021 Mar 04; 32(21):215403. PubMed ID: 33661761.
    Abstract:
    In this paper we expand our previous study on phonon thermal rectification (TR) exhibited in a hybrid graphene-carbon nitride system (G-C3N) to investigate the system's behavior under a wider range of temperature differences, between the two employed baths, and the effects of media-interface geometry on the rectification factor. Our simulation results reveal a sigmoid relation between TR and temperature difference, with a sample-size depending upper asymptote occurring at generally large temperature differences. The achieved TR values are significant and go up to around 120% for ΔT = 150 K. Furthermore, the consideration of varying media-interface geometries yields a non-negligible effect on TR and highlights areas for further investigation. Finally, calculations of Kapitza resistance at the G-C3N interface are performed for assisting us in the understanding of interface-geometry effects on TR.
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