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Thermal conductivities of graphene oxide (GO) sheets with different degrees of functionalization and their responses to uniaxial tensile loads have been studied by molecular dynamics simulations. The thermal conductivity of GO is only 5% that of pristine graphene due to the phonon scattering induced by functionalization. Reduction of GO significantly improves the thermal conductivity by more than...
New thermal and chemical schemes, which include (i) a modified thermal treatment, (ii) acid treatment in a HNO 3 bath and (iii) doping by immersing in a SOBr 2 solution, are developed to treat graphene films to improve the electrical conductivity and transparency. It is shown that a longer thermal treatment at 1100°C as well as additional acid and doping treatments reduce the sheet...
The effects of the degree of functionalization, molecular structure and molecular weight of functional groups on the Young’s modulus of graphene sheets were investigated through molecular dynamics and molecular mechanics simulations. The dependence of shear modulus, strength and critical wrinkling strain of graphene sheets on the chemical functionalization was also examined. It is found that Young’s...
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