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FAPb(BrCl) 杂化钙钛矿（FA：甲脒离子，CH(NH)）的晶体生长、结构相变及光学带隙演化

Crystal growth, structural phase transitions and optical gap evolution of FAPb(BrCl) hybrid perovskites (FA: formamidinium ion, CH(NH)).

作者信息

López Carlos A, Fabelo Oscar, Abia Carmen, Fernández-Diaz María T, Alonso José A

机构信息

Instituto de Ciencia de Materiales de Madrid, CSIC, Cantoblanco, 28049, Madrid, Spain.

INTEQUI, (UNSL-CONICET) and Facultad de Química, Bioquímica y Farmacia, UNSL, Almirante Brown 1455, 5700, San Luis, Argentine.

出版信息

Discov Nano. 2025 Jan 13;20(1):6. doi: 10.1186/s11671-024-04179-2.

DOI:10.1186/s11671-024-04179-2
PMID:39804533
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11729583/
Abstract

Chemically tuned organic-inorganic hybrid halide perovskites based on bromide and chloride anions CH(NH)Pb(BrCl) (CH(NH): formamidinium ion, FA) have been crystallized and investigated by neutron powder diffraction (NPD), single crystal X-ray diffraction (SCXRD), scanning electron microscopy (SEM) and UV-vis spectroscopy. FAPbBr and FAPbCl experience successive phase transitions upon cooling, lowering the symmetry from cubic to orthorhombic phases; however, these transitions are not observed for the mixed halide phases, probably due to compositional disorder. The band-gap engineering brought about by the chemical doping of FAPb (BrCl) perovskites (x = 0.0, 0.33, 0.5, 0.66 and 1.0) can be controllably tuned: the gap progressively increases with the concentration of Cl ions from 2.17 to 2.91 eV at room temperature, presenting a nonlinear behavior. This study provides an improved understanding of the structural and optical properties of these appealing hybrid perovskites.

摘要

基于溴化物和氯化物阴离子的化学调控有机-无机杂化卤化物钙钛矿CH(NH)Pb(BrCl)（CH(NH)：甲脒离子，FA）已通过中子粉末衍射（NPD）、单晶X射线衍射（SCXRD）、扫描电子显微镜（SEM）和紫外-可见光谱进行了结晶和研究。FAPbBr和FAPbCl在冷却时经历连续的相变，对称性从立方相降低到正交相；然而，混合卤化物相未观察到这些转变，可能是由于成分无序。通过FAPb(BrCl)钙钛矿（x = 0.0、0.33、0.5、0.66和1.0）的化学掺杂实现的带隙工程可以得到可控调节：在室温下，带隙随着Cl离子浓度从2.17 eV逐渐增加到2.91 eV，呈现非线性行为。这项研究有助于更好地理解这些有吸引力的杂化钙钛矿的结构和光学性质。

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