The need for low-carbon solar electricity production has become increasingly urgent for energy security and climate change mitigation. However, the bandgap and carrier separation critical requirements of high-efficiency solar cells are difficult to satisfy simultaneously in a single material. In this work, several van der Waals ZnIn(2)X(4) (X = S, Se, and Te) heterostructures were designed based on density functional theory. Our results suggest that both ZnIn(2)S(4)/ZnIn(2)Se(4) and ZnIn(2)Se(4)/ZnIn(2)Te(4) heterostructures are direct bandgap ...
