Interfacial thermal transport property between graphene and semiconductor is an important factor affecting heat dissipation of graphene based semiconductor devices. Here, we investigate thermal transport across graphene/Si and graphene/SiC interfaces using reverse non-equilibrium molecular dynamics simulations, and phonon vibrational density of states are calculated to reveal the mechanism of enhancement of interfacial thermal conductance. Results show that for van der Waals bonded interfaces, the interfacial thermal conductance between graphene and Si is obviously higher, while for covalently bonded interfaces, the interfacial thermal conductance between graphene and SiC is higher. Different to the graphene/SiC interface, interfacial thermal conductances of graphene/Si interfaces can benefit from the increasing temperature, which is because the phonon matching between graphene and Si as well as the interfacial phonon inelastic scattering are improved under higher temperatures. The results are excepted to help promote the understanding of interfacial thermal transport between graphene and semiconductors and provide theoretical basis for the design and modification of related interfaces in graphene based semiconductor devices.

石墨烯与半导体之间的界面热传输特性是影响石墨烯基半导体器件散热的重要因素。在这里，我们使用反向非平衡分子动力学模拟研究跨石墨烯/Si 和石墨烯/SiC 界面的热传输，并计算声子振动态密度以揭示界面热导增强的机制。结果表明，范德华键合界面，石墨烯与Si的界面导热系数明显较高，而共价键合界面，石墨烯与SiC的界面导热系数较高。与石墨烯/碳化硅界面不同，石墨烯/硅界面的界面热导可以受益于温度升高，这是因为石墨烯和硅之间的声子匹配以及界面声子非弹性散射在较高温度下得到改善。该结果有助于促进对石墨烯与半导体之间界面热传输的理解，并为基于石墨烯的半导体器件中相关界面的设计和修改提供理论基础。