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Density functional theory screening of the hybrid double perovskites(MA)2BIBiX6 (BI=K,Cu,Ag,Tl; X=Cl,Br,I) shows that systems with band gapssimilar to those of the MAPbX3 lead compounds can be expected for BI=Cu,Ag,Tl.Motivated by these findings, (MA)2TlBiBr6, isoelectronic with MAPbBr3, wassynthesised and found to have a band gap of ~2.0eV.

Exploring the properties of lead-free hybrid double perovskites using a combined computational-experimental approach