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  4. The Role of Goldschmidt's Tolerance Factor in the Formation of A(2)BX(6) Double Halide Perovskites and its Optimal Range
 
research article

The Role of Goldschmidt's Tolerance Factor in the Formation of A(2)BX(6) Double Halide Perovskites and its Optimal Range

Fedorovskiy, Alexander E.
•
Drigo, Nikita A.
•
Nazeeruddin, Mohammad Khaja  
May 1, 2020
Small Methods

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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Type
research article
DOI
10.1002/smtd.201900426
Web of Science ID

WOS:000533390300010

Author(s)
Fedorovskiy, Alexander E.
Drigo, Nikita A.
Nazeeruddin, Mohammad Khaja  
Date Issued

2020-05-01

Published in
Small Methods
Volume

4

Issue

5

Article Number

1900426

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
GMF  
Available on Infoscience
June 8, 2021
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/178769
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