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The Role of Goldschmidt’s Tolerance Factor in the Formation of A2BX6 Double Halide Perovskites and its Optimal Range
Open accessAbstract
Vacancy‐ordered double perovskites is a new branch of lead‐free halide perovskites with properties promising for photovoltaic application. In this study, data about the crystal structure of 170 known A 2 BX 6 (X = I, Br, Cl, F) are collected and analyzed to solve a question of applicability of the Goldschmidt’s tolerance factor and octahedral factor to double perovskites. It is found that Goldschmidt’s tolerance factor is applicable for double perovskites in analog with ABX 3 perovskites. Suggested optimal ranges of Goldschmidt’s factor expand the geometrical approach from ABX 3 perovskites to A 2 BX 6 double perovskites. The result is useful for up to 796 new full inorganic compounds having double‐perovskite structure and designing new hybrid organic–inorganic double perovskites.
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Cited by
Lattice Thermal Conductivity: An Accelerated Discovery Guided by Machine Learning
Jaafreh, R., Kang, Y. S., & Hamad, K. (2021) · ACS Applied Materials & Interfaces · doi:10.1021/acsami.1c17378 · Cited by 66
Metadata
- Authors
- Fedorovskiy, A. E., Drigo, N. A., & Nazeeruddin, M. K.
- Venue
- Small Methods
- Publisher
- Wiley
- Published
- 2019-07-30
- Volume
- 4
- Issue
- 5
- ISSN
- 2366-9608 (ISSN-L)
- OpenAlex
- W2966527963
- Cited by
- 408
- References
- 38
- FWCI
- 8.28
- Type
- journal article
- Language
- en
- Open access
- green
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