Journal
CHEMISTRY LETTERS
Volume 44, Issue 6, Pages 826-828Publisher
CHEMICAL SOC JAPAN
DOI: 10.1246/cl.150143
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Funding
- Grants-in-Aid for Scientific Research [15H03764] Funding Source: KAKEN
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We here theoretically investigate, by means of a density functional-based approach, the MATl(0.5)Bi(0.5)I(3) (MA:CH3NH3+) perovskite, where Tl/Bi aliovalent ionic pairs replace Pb cations of the parental MAPbI(3). On the basis of a pure structural and electronic analysis, considering the close similarities with the well-assessed MAPbI(3) system, we predict such compounds as potential alternative materials for solar applications.
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