Electro-lubrication in Janus transition metal dichalcogenide bilayers

Abstract Lubrication induced by a vertical electric field or bias voltage is typically not applicable to two-dimensional (2D) van der Waals (vdW) crystals. By performing extensive first-principles calculations, we reveal that the interlayer friction and shear resistance of Janus transition metal dichalcogenide (TMD) MoXY (X/Y = S, Se, Te, X ≠ Y) bilayers under constant normal force mode can be reduced applying fields. The maximum sliding energy barriers between AA AB stacking MoSTe, MoSeTe, MoSSe decrease as positive increases because more significant counteracting effect from enhancement in charge transfer stacking. Meanwhile, presence negative fields decreases bilayer electronegativity difference Te S atoms reduces interfacial atom differences These results an electro-lubrication mechanism for heterogeneous interfaces 2D TMDs.