▎ 摘　　要

Being the key process of a promising scalable production method, mechanical peeling is often used to construct high-quality van der Waals (vdW) heterostructures. By combining molecular dynamics (MD) studies and theoretical analysis, the investigation of the process of peeling heterostructures at different angles is reported. Taking vdW interaction into account, we present a theory that considers the effects of peeling angles on peeling forces. The theory is verified with results of MD simulations and found to describe the stable peeling stage well. Furthermore, there is a characteristic length at the initial stage of peeling, which reflects the bending and interfacial properties of the layered materials during peeling and indicates the influence of peeling angles on transition from unstable peeling to stable peeling. Our findings could help to understand the peeling mechanisms of 2D material interfaces and may give a guidance for the construction of better-quality and more complex vdW heterostructures.