Modeling of Halide Perovskite/Ti3C2TX MXenes Solar Cells

Solar cells based on metal halide Perovskites have gained a key role in the field of photovoltaics due to their high efficiencies and low production costs. Still, there is considerable effort invested in tuning the perovskite crystal morphology and interface properties, in order to further improve the device performance. Among the solutions proposed so far, MXenes have recently turned into focus for their possibility of being incorporated within the perovskite and carrier transport layers, resulting in an important improvement of the cell efficiency. In this work, we present device simulations of Perovskite/MXene solar cells, where modeling of the interface energy alignments has been based on measurement data and ab initio calculations.