Factors Influencing the Mechanical Properties of Formamidinium Lead Halides and Related Hybrid Perovskites

The mechanical properties of formamidinium lead halide perovskites (FAPbX3, X=Br or I) grown by inverse‐temperature crystallization have been studied by nanoindentation. The measured Young's moduli (9.7–12.3 GPa) and hardnesses (0.36–0.45 GPa) indicate good mechanical flexibility and ductility....

Full description

Saved in:
Bibliographic Details
Published in:ChemSusChem 2017-10, Vol.10 (19), p.3740-3745
Main Authors: Sun, Shijing, Isikgor, Furkan H., Deng, Zeyu, Wei, Fengxia, Kieslich, Gregor, Bristowe, Paul D., Ouyang, Jianyong, Cheetham, Anthony K.
Format: Article
Language:English
Subjects:
Amidines - chemistry
Calcium Compounds - chemistry
Chemical bonds
Crystallization
Distribution functions
Ductility tests
Halides
Halogens - chemistry
hybrid perovskites
Hydrogen bonding
Lead - chemistry
lead halides
Mathematical analysis
Mechanical Phenomena
Mechanical properties
Modulus of elasticity
Molecular dynamics
Nanoindentation
Oxides - chemistry
Perovskites
photovoltaics
Radial distribution
Stiffness
Structural stability
Temperature
Titanium - chemistry
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The mechanical properties of formamidinium lead halide perovskites (FAPbX3, X=Br or I) grown by inverse‐temperature crystallization have been studied by nanoindentation. The measured Young's moduli (9.7–12.3 GPa) and hardnesses (0.36–0.45 GPa) indicate good mechanical flexibility and ductility. The effects of hydrogen bonding were evaluated by performing ab initio molecular dynamics on both formamidinium and methylammonium perovskites and calculating radial distribution functions. The structural and chemical factors influencing these properties are discussed by comparison with corresponding values in the literature for other hybrid perovskites, including double perovskites. Our results reveal that bonding in the inorganic framework and hydrogen bonding play important roles in determining elastic stiffness. The influence of the organic cation becomes more important for structures at the limit of their perovskite stability, indicated by high tolerance factors. Hard or soft? Nanoindentation on single crystals of FAPbX3 (X=Br or I) is used to study the mechanical properties of formamidinium lead halide perovskites. The effects of hydrogen bonding are evaluated by ab initio molecular dynamics and calculating radial distribution functions.
ISSN:1864-5631
1864-564X
DOI:10.1002/cssc.201700991