Metal element doping in Cs(Pb1 − xDEx)Br3 for solar cell materials

•A suitable band gap for solar cells for CsPbBr3, the stable materials for thin film solar cells, by searching the metal replace for Pb, are investigated by the first principle calculations, and proved by Ti-doping in CsPbBr3.•Contributions from the valence electrons of doping metal replace for Pb in CsPbBr3, on the band gap is confirmed, which consists with the tendency of the metals’ electronegativity.