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Combining theory and experiment in the design of a lead-free ((CH3NH3)2AgBiI6) double perovskite

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Abstract

Under the guidance of our theoretical calculations, we synthesized a lead-free double perovskite ((CH3NH3)2AgBiI6) and explored its electronic structure and optical properties using a combination of experiment and density functional theory. (CH3NH3)2AgBiI6 has an indirect bandgap of 1.96 eV, and exhibits high-stability in air.

Graphical abstract: Combining theory and experiment in the design of a lead-free ((CH3NH3)2AgBiI6) double perovskite

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Publication details

The article was received on 02 Jul 2017, accepted on 08 Aug 2017 and first published on 08 Aug 2017


Article type: Letter
DOI: 10.1039/C7NJ02365K
Citation: New J. Chem., 2017, Advance Article
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    Combining theory and experiment in the design of a lead-free ((CH3NH3)2AgBiI6) double perovskite

    P. Cheng, T. Wu, Y. Li, L. Jiang, W. Deng and K. Han, New J. Chem., 2017, Advance Article , DOI: 10.1039/C7NJ02365K

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