  Thermal conduction in polymer nanocomposites depends on several parameters
including the thermal conductivity and geometrical features of the
nanoparticles, the particle loading, their degree of dispersion and formation
of a percolating networks. To enhance efficiency of thermal contact between
free-standing conductive nanoparticles were previously proposed. This work
report for the first time the investigation of molecular junctions within a
graphene polymer nanocomposite. Molecular dynamics simulations were conducted
to investigate the thermal transport efficiency of molecular junctions in
polymer tight contact, to quantify the contribution of molecular junctions when
graphene and the molecular junctions are surrounded by polydimethylsiloxane
(PDMS). A strong dependence of the thermal conductance in PDMS/graphene model
was found, with best performances obtained with short and conformationally
rigid molecular junctions.
