Journal
JOURNAL OF MATERIALS CHEMISTRY A
Volume 4, Issue 31, Pages 12025-12029Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c6ta05817e
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Funding
- Agency for Science, Technology and Research, Singapore
- EPSRC [EP/K014560/1]
- Ras Al Kaihmah Center for Advanced Materials
- Engineering and Physical Sciences Research Council [EP/K014560/1] Funding Source: researchfish
- EPSRC [EP/K014560/1] Funding Source: UKRI
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Density functional theory screening of the hybrid double perovskites (MA)(2)(BBiX6)-Bi-I (B-I = K, Cu, Ag, Tl; X = Cl, Br, I) shows that systems with band gaps similar to those of the MAPbX(3) lead compounds can be expected for B-I = Cu, Ag, Tl. Motivated by these findings, (MA)(2)TlBiBr6, isoelectronic with MAPbBr(3), was synthesised and found to have a band gap of similar to 2.0 eV.
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