Tuning thermal conductivity of bilayer graphene by inter-layer sp(3) bonding: A molecular dynamics study
A Rajabpour and SMV Allaei, APPLIED PHYSICS LETTERS, 101, 053115 (2012).
Using nonequilibrium molecular dynamics simulations, the effect of inter-layer sp(3) bonding on the thermal conductivity of bilayer graphene were investigated. Up to 5% fractions of randomly distributed inter-layer sp(3) bonds, lead to considerable decreases in the thermal conductivity of bilayer graphene, up to 70%. Phonon power spectrum calculations revealed the strong influence of sp(3) inter-layer bonds compared to weak effect of inter-layer Lennard-Jones interactions on the thermal transport of the system. These measurements propose the application of the inter-layer sp(3) bonding in designing nanoscale devices with tunable thermal conductivities. (C) 2012 American Institute of Physics. http://dx.doi.org/10.1063/1.4740259
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