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Cations substitution tuning phase stability in hybrid perovskite single crystals by strain relaxation

机译：通过应变弛豫对钙钛矿杂化晶体中阳离子取代的调谐相稳定性

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Methylammonium (MA) and formamidinium (FA) are two typical A site cations in lead halide perovskites. Instability of synthesised crystals will degrade the properties of the photoelectrical device constructed by such perovskites. MAPbI3 and FAPbI3 in cubic crystal structure have been demonstrated to be the most stable at room temperature. Herein we synthesised MA(EA)PbI3 and FA(MA)PbI3 single crystals using an inverse-temperature crystallization strategy by partially substituting the methylammonium (MA) with ethylammonium (EA) and the formamidinium (FA) with methylammonium (MA) respectively. The XRD results show that both crystal structures are cubic, which means organic incorporation can stabilize the crystal structure of lead halide perovskites. The lattice distortion decrease and strain relaxation in single crystals were considered to be the reason leading to higher stability. The single crystals of MA(EA)PbI3 and FA(MA)PbI3 with low trap state density exhibit excellent light-absorbing properties, indicating their potential applications in photoelectric devices.
机译：甲基铵（MA）和甲ami（FA）是卤化钙钛矿中两个典型的A位阳离子。合成晶体的不稳定性将降低由这种钙钛矿构成的光电器件的性能。立方晶体结构中的MAPbI 3 和FAPbI 3 在室温下是最稳定的。在这里，我们使用反演方法合成了MA（EA）PbI 3 和FA（MA）PbI 3 单晶。通过分别用乙基铵（EA）取代甲基铵（MA）和用甲基铵（MA）取代甲酰胺（FA）的温度结晶策略。 XRD结果表明，两种晶体结构均为立方晶，这意味着有机结合可以稳定卤化钙钛矿的晶体结构。单晶的晶格畸变降低和应变松弛被认为是导致更高稳定性的原因。 MA（EA）PbI 3 和FA（MA）PbI 3 的单晶，陷阱态密度低具有优异的吸光性能，表明它们在光电器件中的潜在应用。

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