Computational Modelling of Hybrid Boron Nitride-Carbon Nanosheets

V Vijayaraghavan and LC Zhang, MATERIALS TODAY-PROCEEDINGS, 18, 2403-2408 (2019).

DOI: 10.1016/j.matpr.2019.07.087

The tensile loading properties of a single layer hybrid boron nitride- carbon (BN-C) nanosheet are investigated in this paper using molecular dynamics simulations. The BN-C nanosheet consists of a hybrid lattice of BN and graphene segments which are arranged either in series or parallel arrangement. The tensile loading characteristics of the BN-C nanosheet are then investigated by systematically varying the arrangement, sheet size and temperature. The studies indicated that the parallel BN-C nano sheet exhibits improved mechanical characteristics compared to that of a series BN-C nanosheet. Additionally, while the tensile strength of BN-C nanosheet does not vary markedly with the sheet size, it shows a significant reduction at elevated temperatures. The studies presented in this work can guide in design of such hybrid BN-C nanosheet for applications involving nanocomposites, nanoelectromechanical devices and nanoscale sensors. (C) 2019 Elsevier Ltd. All rights reserved.

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