Manipulating Interfacial Thermal Conduction of 2D Janus Heterostructure via a Thermo‐Mechanical Coupling

Abstract 2D Janus transition metal dichalcogenide (TMD) semiconductor materials have attracted great interest for their potential applications. Because of the increased requirement for thermal management in 2D devices with single‐atom thickness, a fundamental understanding of interfacial thermal conduction (ITC) has emerging significance. In this work, the ITC of in‐plane heterostructures constructed using MoSSe and WSSe is reported. In addition to the interface connected normally by MoSSe and WSSe with the same type of chalcogen atoms are on the same side of left and right sections, inversional interface by rotation of 180° of WSSe is also considered, in which S atoms are on the opposite side of the left and right sections. Interestingly, the ITC in the normally connected heterostructure is found to be almost twice as much as that in the inversely connected heterostructure. The unusually large change in ITC is attributed to the bending curvature and additional discontinuity in the inversely connected heterostructure. Euler–Bernoulli beam model gives further insight into the origin of such interface bending. The findings offer the very first insight into the phonon transport in Janus heterostructures, and benefit thermal management of 2D devices based on Janus monolayers.