Defect Tolerance to Intolerance in the Vacancy-Ordered Double Perovskite Semiconductors Cs 2 SnI 6 and Cs 2 TeI 6
Colorado State University · University College London · +2 more institutions
Abstract
Vacancy-ordered double perovskites of the general formula A2BX6 are a family of perovskite derivatives composed of a face-centered lattice of nearly isolated [BX6] units with A-site cations occupying the cuboctahedral voids. Despite the presence of isolated octahedral units, the close-packed iodide lattice provides significant electronic dispersion, such that Cs2SnI6 has recently been explored for applications in photovoltaic devices. To elucidate the structure-property relationships of these materials, we have synthesized solid-solution Cs2Sn1-xTexI6. However, even though tellurium substitution increases electronic dispersion via closer I-I contact distances, the substitution experimentally yields insulating…
Citation impact
- FWCI
- 18.60
- Percentile
- 100%
- References
- 124
Authors
6Topics & keywords
- Chemistry
- Vacancy defect
- Band gap
- Crystallography
- Density functional theory
- Electronic structure
- Perovskite (structure)
- Semiconductor
- Affordable and clean energy