Interface engineering of CsPbBr3/TiO2 heterostructure with enhanced optoelectronic properties for all-inorganic perovskite solar cells

Interface engineering has become a vital method in accelerating the development of perovskite solar cells in the past few years. To investigate the effect of different contacted surfaces of a light absorber with an electron transporting layer, TiO2, we synthesize CsPbBr3/TiO2 thin films with two different interfaces (CsBr/TiO2 and PbBr2/TiO2). Both interfacial heterostructures exhibit enhanced visible light absorption, and the CsBr/TiO2 thin film presents higher absorption than the PbBr2/TiO2 interface, which is attributed to the formation of interface states and the decreased interface bandgap. Furthermore, compared with the PbBr2/TiO2 interface, CsBr/TiO2 solar devices present larger output short circuit current and shorter photoluminescence decay time, which indicates that the CsBr contacting layer with TiO2 can better extract and separate the photo-induced carriers. The first-principles calculations confirm that, due to the existence of staggered gap (type II) offset junction and the interface states, the CsBr/TiO2 interface can more effectively separate the photo-induced carriers and thus drive the electron transfer from the CsPbBr3 perovskite layer to the TiO2 layer. These results may be beneficial to exploit the potential application of all-inorganic perovskite CsPbBr3-based solar cells through the interface engineering route.