A brief study concerning thermal transport properties of B-C-N monolayers and graphene/X nanoribbon heterojunctions: Influences of carbon concentration and mean temperature

Cuba-Supanta G.; Martinez M.; Rojas-Ayala C.; Rojas-Tapia J. · Revista Mexicana de Fisica (2026) · DOI: 10.31349/revmexfis.72.051001

Resumen

A wide variety of two-dimensional (2D) materials provides an optional route for manipulating heat fluxes at the nanoscale. Nowadays, 2D carbon-based materials have received important attention due to their adjustable transport properties by a controlled tuning of composition, junction, geometry, etc. In the present paper, we address the thermal transport properties of the B-C-N (Boron-Carbon-Nitride) monolayers and graphene/X (X=hBN, hSiC, and graphane) nanoribbon heterojunctions by performing non-equilibrium molecular dynamics simulations. Our results show that the carbon concentration modifies the thermal conductivity of B-C-N monolayers at a mean temperature of 300 K, producing values of 29.47, 28.94, and 16.58 W/m-K for concentrations of 90, 10, and 50%, respectively. Nevertheless, no major effect of carbon concentration on the temperature profile of B-C-N monolayers is observed. On the other hand, the mean temperature influences the interface thermal resistance and thermal conductivity of coplanar graphene/X nanoribbon heterojunctions, these variations are observed for the forward direction of the heat flux, modulating the temperature drop at the interface. Besides, graphene/hBN and graphene/graphane heterojunctions show a pronounced thermal rectification at a mean temperature below 300 K, compared to graphene/hSiC heterojunction. In which the heat fluxes present an asymmetry in the j-Δ curve, highlighting that the heat flux in the backward direction preferentially flows from X (hBN and graphane) to graphene nanoribbons. Copyright (c) 2026 Gustavo Cuba-Supanta, Melquicedec Martinez Rios, Chachi Rojas Ayala, Justo Rojas Tapia. This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License. https://creativecommons.org/licenses/by-nc-nd/4.0/. Authors retain copyright and grant the Revista Mexicana de Física right of first publication with the work simultaneously licensed under a CC BY-NC-ND 4.0 that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.

Instituciones: Universidad Nacional Mayor de San Marcos; Universidad Nacional del Callao