We investigate thermal conductivity of graphene/graphane/graphene heterostructure nanoribbons, which are constructed by substituting graphane nanoribbons into middle part of the armchair graphene nanoribbons, using non-equilibrium molecular dynamics. Effects of hydrogen atoms in middle graphane nanoribbons, H-termination on edge, width, and H coverage on thermal conductivity of the heterostructure nanoribbons were clarified. The thermal conductivity of the heterostructure nanoribbons are at least one order less than that of graphene nanoribbons. Reduction of thermal conductivity decreases, as width of the heterostructure nanoribbons and adsorption width increase. Reduction of thermal conductivity in graphene by hydrogen-functionalization can be used to control the thermal transportation properties. The graphene/graphane/graphene heterostructure nanoribbons may be candidate for high merit of figure thermoelectric conversion material with low thermal conductivity and high electric conductivity.

我们研究了石墨烯/石墨烯/石墨烯异质结构纳米带的热导率，该结构是通过使用非平衡分子动力学将石墨烷纳米带取代成扶手椅石墨烯纳米带的中间部分而构建的。阐明了中间石墨烯纳米带中的氢原子，氢封端对边缘，宽度和氢的覆盖率对异质结构纳米带的热导率的影响。异质结构纳米带的热导率比石墨烯纳米带的热导率小至少一个数量级。随着异质结构纳米带的宽度和吸附宽度的增加，热导率的降低会降低。通过氢官能化降低石墨烯中的热导率可用于控制热传输性能。