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Factors Influencing the Mechanical Properties of Formamidinium Lead Halides and Related Hybrid Perovskites
Author(s) -
Sun Shijing,
Isikgor Furkan H.,
Deng Zeyu,
Wei Fengxia,
Kieslich Gregor,
Bristowe Paul D.,
Ouyang Jianyong,
Cheetham Anthony K.
Publication year - 2017
Publication title -
chemsuschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.412
H-Index - 157
eISSN - 1864-564X
pISSN - 1864-5631
DOI - 10.1002/cssc.201700991
Subject(s) - formamidinium , perovskite (structure) , halide , materials science , nanoindentation , nucleation , chemistry , chemical physics , inorganic chemistry , crystallography , composite material , organic chemistry
The mechanical properties of formamidinium lead halide perovskites (FAPbX 3 , 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.