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APS -Annual Meeting of the APS Four Corners Section- Event - Glassy Behavior in a Crystalline Lattice: Substituted Hybrid Perovskites

机译:APS-APS四角分会年会-活动-晶格中的玻璃态行为:取代的混合钙钛矿

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Hybrid perovskites are at the forefront of research for the next generation of semiconductors for solar cells, even though the fundamental physics behind their electronic properties are not well understood. The presence of a dynamic organic cation is typically thought to localize charge carriers, but hybrid perovskites preform competitively with conventional semiconductors. Therefore, many questions remain about the influence of an organic cation on the dynamics, structure, and phase behavior of a crystalline framework. We have characterized the crystallographic and dynamic behavior of the series (CH$_3$NH$_3$)$_{1-x}$Cs$_x$PbBr$_3$. Cs$^+$ substitution leads to the formation of an orientational glass, which can be described as a disordered molecular sublattice coupled to a periodic inorganic framework. We attribute the glassiness of the lattice to geometric strain at the substituted site. In (CH$_3$NH$_3$)$_{0.8}$Cs$_{0.2}$PbBr$_3$, a reentrant phase transition allows us to map the strain onto the cuboctahedral void, in terms of the shape of the cuboctahedral void and the organic cation orientation. Our results enable a better understanding of the complex energy landscape of hybrid perovskites, which is essential to building theoretical models to enable technological innovation.
机译:杂化钙钛矿在下一代太阳能电池半导体研究中处于最前沿,尽管人们对其电子特性背后的基本物理原理还不甚了解。通常认为动态有机阳离子的存在可以使载流子局部化,但是杂化钙钛矿与常规半导体相比具有竞争优势。因此,关于有机阳离子对晶体骨架的动力学,结构和相行为的影响,仍然存在许多问题。我们已经表征了该系列的晶体学和动力学行为(CH $ _3 $ NH $ _3 $)$ _ {1-x} $ Cs $ _x $ PbBr $ _3 $。 Cs ++ +取代导致取向玻璃的形成,其可以描述为与周期性无机骨架偶联的无序分子亚晶格。我们将晶格的玻璃度归因于取代位点处的几何应变。在(CH $ _3 $ NH $ _3 $)$ _ {0.8} $ Cs $ _ {0.2} $ PbBr $ _3 $中,折返相变使我们可以将应变映射到立方八面体空隙上立方八面体空隙和有机阳离子取向。我们的结果可以更好地理解混合钙钛矿的复杂能源格局,这对于建立理论模型以实现技术创新至关重要。

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