The PCE of Cs 2 PbX 4 –WSe 2 heterostructures is larger than the PCE of Cs 2 PbX 4 –MoSe 2 heterostructures. Cs 2 PbI 4 –WSe 2 heterostructure has the largest PCE (18%) among Cs 2 PbX 4 –MSe 2 heterostructures and has great potential application in solar cells.