  Using non-equilibrium molecular dynamics (NEMD) simulation, we study thermal
properties of the so-called nanoporous graphene (NPG) sheet which contains a
series of nanoporous in an ordered way and was synthesized recently (Science
360 (2018), 199). The dependence of thermal conductivity on sample size, edge
chirality, and porosity concentration are investigated. Our results indicate
that the thermal conductivity of NPG is about two orders smaller compared with
of pristine graphene. Therefore this sheet can be used as a thermoelectric
material. Also, the porosity concentration helps us to tune the thermal
conductivity. Moreover, the results show that the thermal conductivity
increases with growing sample length due to ballistic transport. On the other
hand, along the armchair direction, the thermal conductivity is larger than
zigzag direction. We also examined the thermal properties of the interface of
NPG and graphene. The temperature drops significantly through the interface
leading to the thermal resistance. The thermal resistance changes with imposed
heat flux direction, and this difference cause significantly large thermal
rectification factor, and heat current prefers one direction to another.
Besides, to investigate those quantities fundamentally, we study the phonon
density of states and scattering of them.
