Intrinsic structural anisotropy in methylammonium (MA) and formamidinium (FA) lead halide perovskites were examined and by various laboratory X-ray diffraction techniques including both out-of-plane and in-plane geometries. Our quantitative analysis revealed the presence of anisotropic strain in the cubic perovskites. Comparative studies on FAPbBr3 and MAPbBr3 showed that the FAPbBr3 lattice was more strained and the anisotropic features were rationalized using ab initio molecular dynamics simulations (AIMD). Our results shed light on future perovskite film design to minimize strain induced decomposition.
Influence of organic cations on the structural anisotropy in cubic lead halide perovskites
Federico Brivio;
2018
Abstract
Intrinsic structural anisotropy in methylammonium (MA) and formamidinium (FA) lead halide perovskites were examined and by various laboratory X-ray diffraction techniques including both out-of-plane and in-plane geometries. Our quantitative analysis revealed the presence of anisotropic strain in the cubic perovskites. Comparative studies on FAPbBr3 and MAPbBr3 showed that the FAPbBr3 lattice was more strained and the anisotropic features were rationalized using ab initio molecular dynamics simulations (AIMD). Our results shed light on future perovskite film design to minimize strain induced decomposition.
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