Tunable electronic structures, Rashba splitting, and optical and photocatalytic responses of MSSe-PtO₂ (M = Mo, W) van der Waals heterostructures

Abstract

Binding energies, AIMD simulation, and phonon spectra confirm both the thermal and dynamical stabilities of model-I and -II of MSSe-PtO2(M=Mo, W) vdWHs. An indirect type-II band alignment in both models...