Monolayer Rute2: A Promising Thermal Management Material

Abstract

Two-dimensional (2D) transition metal dichalcogenide (TMD) materials have unique thermal and mechanical properties, making them good candidates for thermal management materials. In this work, a novel TMD monolayer RuTe2 with 1T' phase crystal structure is investigated by the first principles approach combined with Boltzmann transport equation (BTE). The results indicate that the lattice thermal conductivity of the monolayer RuTe2 can reach 51.5 W/mK at 300K, which is approximately twice as high as that of thermal management material monolayer MoS2. Besides, the monolayer RuTe2 own good mechanical stability. The results show that the high thermal conductivity of monolayer RuTe2 is mainly due to its weak phonon anharmonicity and low phonon-phonon scattering rate. This study reveals that monolayer RuTe2 is a promising candidate for 2D thermal management materials.

Keywords: First-principles approach, RuTe2 monolayer, Thermal management, Two dimensional materials