On the application of the tolerance factor to inorganic and hybrid halide perovskites: a revised system

Chemical Science
W TravisR G Palgrave

Abstract

The tolerance factor is a widely used predictor of perovskite stability. The recent interest in hybrid perovskites for use as solar cell absorbers has lead to application of the tolerance factor to these materials as a way to explain and predict structure. Here we critically assess the suitability of the tolerance factor for halide perovskites. We show that the tolerance factor fails to accurately predict the stability of the 32 known inorganic iodide perovskites, and propose an alternative method. We introduce a revised set of ionic radii for cations that is anion dependent, this revision is necessary due to increased covalency in metal-halide bonds for heavier halides compared with the metal-oxide and fluoride bonds used to calculate Shannon radii. We also employ a 2D structural map to account for the size requirements of the halide anions. Together these measures yield a simple system which may assist in the search for new hybrid and inorganic perovskites.

References

Jun 21, 2005·Inorganic Chemistry·Jeremy L KnutsonDavid B Mitzi
Nov 23, 2006·Inorganic Chemistry·Eva BeurerHans U Güdel
Mar 10, 2007·Chemical Communications : Chem Comm·Anthony K CheethamRussell K Feller
Nov 26, 2008·Acta Crystallographica. Section B, Structural Science·Chonghea LiZiming Guo
Nov 26, 2008·Nature Materials·Scott M Woodley, Richard Catlow
Apr 16, 2009·Journal of the American Chemical Society·Akihiro KojimaTsutomu Miyasaka
Mar 25, 2015·Nature Chemistry·Aron Walsh
Apr 4, 2015·The Journal of Physical Chemistry. C, Nanomaterials and Interfaces·Aron Walsh
Aug 1, 2015·Advanced Materials·Joseph BerryDavid Cahen
Aug 12, 2015·The Journal of Physical Chemistry Letters·Pablo P BoixSubodh G Mhaisalkar
Jun 1, 2015·Chemical Science·Gregor KieslichAnthony K Cheetham

❮ Previous
Next ❯

Citations

Feb 7, 2018·Angewandte Chemie·Michael SalibaAntonio Abate
Dec 21, 2018·Advanced Materials·Julian Gebhardt, Andrew M Rappe
Apr 17, 2019·Chemical Society Reviews·Sara AbednatanziKaren Leus
Jun 22, 2019·Dalton Transactions : an International Journal of Inorganic Chemistry·Lazaros TheofylaktosThomas Stergiopoulos
Aug 2, 2019·Chemical Communications : Chem Comm·Yuan-Yuan GuoPhilip Lightfoot
Jan 16, 2020·Chemical Society Reviews·Zhichao ZengChunhua Yan
Mar 24, 2020·Chemical Communications : Chem Comm·Jason A McNulty, Philip Lightfoot
May 16, 2020·Physical Chemistry Chemical Physics : PCCP·Zeeshan MuhammadIftikhar Ahmad
Aug 5, 2020·Dalton Transactions : an International Journal of Inorganic Chemistry·Stefan BurgerGregor Kieslich
May 2, 2017·Monatshefte für chemie·Sebastian F HoeflerThomas Rath
May 5, 2017·Nanomaterials·Ujwal K ThakurKarthik Shankar
Jun 15, 2018·Materials·Faruk SaniAbubakar Ohinoyi Musa
Jun 20, 2017·Dalton Transactions : an International Journal of Inorganic Chemistry·Mirosław MączkaAdam Pikul
Jul 12, 2017·Scientific Reports·Hironobu IshibashiToshihiko Kaji
Oct 11, 2016·Chemical Communications : Chem Comm·Alex M GanoseDavid O Scanlon
Dec 6, 2017·Chemistry : a European Journal·Zewen XiaoNitin P Padture
Feb 21, 2019·Science Advances·Christopher J BartelMatthias Scheffler
Jun 8, 2018·Angewandte Chemie·Chunqing MaChun-Sing Lee
Dec 7, 2018·Journal of Materials Chemistry. C, Materials for Optical and Electronic Devices·Xiangtong ZhangWilliam W Yu
Jun 17, 2020·Chemical Society Reviews·Cheng-Hsin LuZhiqun Lin
Aug 5, 2017·Physical Chemistry Chemical Physics : PCCP·Jun DaiXiao Cheng Zeng
Nov 27, 2020·Physical Chemistry Chemical Physics : PCCP·Mansour Kanani, Mohammad Moaddeli
Feb 13, 2021·Nanomaterials·Vincenza ArmeniseAndrea Listorti

❮ Previous
Next ❯

Methods Mentioned

BETA
3 hybrid

Software Mentioned

CrystalWorks

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.

Related Papers

Topics in Current Chemistry
Michele SessoloHenk J Bolink
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
Raffael RuessDerck Schlettwein
Journal of the American Chemical Society
Ming-Gang JuXiao Cheng Zeng
© 2022 Meta ULC. All rights reserved