Phonon thermal rectification in hybrid graphene-C3N: a molecular dynamics simulation

O Farzadian and A Razeghiyadaki and C Spitas and KV Kostas, NANOTECHNOLOGY, 31, 485401 (2020).

DOI: 10.1088/1361-6528/abb04b

We apply the non-equilibrium molecular dynamics approach (NEMD) to study thermal rectification in a hybrid graphene-carbon nitride system (G-C3N 60 K, and high thermal rectification values, up to around 50% for Delta T = 100 K. Furthermore, this behavior remains practically consistent among different sample lengths. The underlying mechanism leading to a preferable direction for phonons is calculated using phonon density of states (DOS) on both sides of the G-C3N

Return to Publications page