Maximum thermal conductivity of multilayer graphene with periodic two-dimensional empty space

Abstract

With the ongoing development and maturation of van der Waals integration technology in recent years, the two-dimensional empty space (2D-ES) in multilayer graphene are undergoing a major breakthrough from conceptual realization to controlled design, which will open up novel possibilities in the micro-nano technology, including thermal transport. Herein, anomalous maximum in the in-plane thermal conductivity has been found by extensive molecular dynamics simulations in multilayer graphene with periodic 2D-ES. Analysis of the decomposition of the in-plane and out-of-plane contributions, which is of interest in laminated quasi-2D structures, shows that the out-of-plane part dominated by the influence of the vibrational modes, combined with the in-plane part under the influence of the compensation effect between the boundary scattering and the cavity barriers, together contribute to the thermal conductivity anomalous maximum. From property exploration to in-depth phonon analysis, a deep understanding of the phonon thermal transport behavior of multilayer graphene with periodic 2D-ES has been established, which is expected to further advance its application in the field of thermal management and design of nanomaterials.