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.
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机译：杂化双钙钛矿（MA）2BIBiX6（BI = K，Cu，Ag，Tl; X = Cl，Br，I）的密度泛函理论筛选表明，带隙与MAPbX3铅化合物相似的系统可以预期用于BI根据这些发现，合成了与MAPbBr3等电的（MA）2T1BiBr6，其带隙为〜2.0eV。
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