Getting the details right: optical, dielectric, and vibrational outcomes of structural phase transition in one-dimensional pyrrolidinium lead iodide and the role of defects

Abstract

One-dimensional hybrid organic-inorganic halide perovskites have recently come under the spotlight of research due to their unique optical properties, including strong light absorption and other physicochemical characteristics relevant for energy...

Design, synthesis, and characterization of a new hybrid organic–inorganic perovskite with a high-Tc dielectric transition

“…The single crystal X-ray diffraction data of 1 were collected at 296 K and 410 K. At 296 K, 1 crystallizes in the monoclinic crystallographic system and is a 4 H -hexagonal perovskite structure as reported in many references. 25,26,28,29 The centrosymmetric space group of 1 is P 2 1 / c and the cell parameters of 1 is a = 10.8678(4) Å, b = 35.6850(15) Å, c = 7.7853(3) Å, Z = 8, β = 100.9530(10)° and V = 2964.3(2) Å 3 .…”

“…The single crystal X-ray diffraction data of 1 were collected at 296 K and 410 K. At 296 K, 1 crystallizes in the monoclinic crystallographic system and is a 4Hhexagonal perovskite structure as reported in many references. 25,26,28,29 The centrosymmetric space group of 1 is P2 It can be seen from the packing view (Fig. 2), every Pb atom lies on a 2 1 -screw axis and bridges with six Br atoms, forming infinite one-dimension [PbBr 3 ] − chains along the c-axis.…”

“…For example, IMPbBr 3 and PyrPbI 3 have similar [PbX 3 ] − structures (X is a halogen atom), but the T c of IMPbBr 3 (221 K) and PyrPbI 3 (315 K) are much lower than that of 1. 25,26 Rather than spherical-like structure, the shape of the organic cation in IMPbBr 3 and PyrPbI 3 have a planar structure, which may decrease the barrier of disordering transition. Thus, for similar one-dimensional [PbBr 3 ] − hybrid organic-inorganic perovskite, the size, and shape of organic cation are the factors affecting T c .…”

“…A handful of examples of perovskites containing [PbX 3 ] − can be found in the literature. 21,[24][25][26][27][28][29] It can be seen that a stepchange of ε′ is similar for all perovskites containing [PbX 3 ] − although they possess different cations or halogen atoms. As presented in Table S1, † (Et 4 N)PbBr 3 , (FTEA)PbBr 3 , IMPbBr 3 , CEPBBr 3 and BEPbBr 3 have a similar [PbBr 3 ] − structure and similar change of ε′ with 1.…”

Absorption Edge Fine Structure in the PyPbI3 Perovskite Revealed by Variable-Temperature UV–Vis Diffuse Reflectance Spectroscopy

“…The aforementioned charge-transfer absorption in the visible region was observed in 1D perovskites that included a relatively complex organic molecules. Another 1D group of lead iodide perovskites comprises a single six-membered ring molecules as the ‘A’-site cation, namely: piperidinium PipPbI 3 (C 5 H 10 NH 2 PbI 3 ) , and pyridinium PyPbI 3 (C 5 H 6 NPbI 3 ), − as well as the five-membered ring pyrrolidinium PyrPbI 3 (C 4 H 8 NH 2 PbI 3 ). − …”