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<p>Chemically tuned organic–inorganic hybrid halide perovskites based on bromide and chloride anions CH(NH<sub>2</sub>)<sub>2</sub>Pb(Br<sub>1−<i>x</i></sub>Cl<sub><i>x</i></sub>)<sub>3</sub> (CH(NH<sub>2</sub>)<sub>2</sub><sup>+</sup>: 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<sub>3</sub> and FAPbCl<sub>3</sub> 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 (Br<sub>1-<i>x</i></sub>Cl<sub><i>x</i></sub>)<sub>3</sub> 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<sup>−</sup> ions from 2.17 to 2.91&#xa0;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.</p>

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Crystal growth, structural phase transitions and optical gap evolution of FAPb(Br1-xClx)3 hybrid perovskites (FA: formamidinium ion, CH(NH2)2+)

  • 期刊论文

  • 出版模式：

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  • 发表日期：

    2025年1月13日

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

摘要

Chemically tuned organic–inorganic hybrid halide perovskites based on bromide and chloride anions CH(NH2)2Pb(Br1−xClx)3 (CH(NH2)2+: 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. FAPbBr3 and FAPbCl3 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 (Br1-xClx)3 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.