A molecular dynamics study about two way tuning of thermal conductivity in graphene: Strain and doping

Thermal conductivity becomes an important material property measure in MEMS/NEMS applications. Recently, graphene has been proved to have superior thermal conductivity, which brought tremendous potential for nanoscale thermal transport management applications. In this study, we adopt the molecular dynamics simulation method to investigate the thermal conductivity variation of graphene with respect to chirality, strain, hydrogen doping and the deformation of the structure. We investigate thermal conductivity variation and various deformation modes of graphene under single-side patterned hydrogenation stripes. We show that graphene thermal conductivity can be tuned by deformation modes and hydrogenation doping density.