Novel 〈110〉-Oriented Organic−Inorganic Perovskite Compound Stabilized by N-(3-Aminopropyl)imidazole with Improved Optical Properties

Abstract

In the organic−inorganic perovskites family, the 〈100〉-oriented type has been extensively investigated as a result of its unique magnetic, optical, and electrical properties, and only one type of 〈110〉-oriented hybrid perovskite stabilized by methylammonium and iodoformamidinium cations or the latter themselves has been known so far. In this paper, another novel 〈110〉-oriented organic−inorganic perovskite (C6H13N3)PbBr4 (compound 1) has been prepared by reacting N-(3-aminopropyl)imidazole (API) with PbBr2 in hydrobromic acid. The crystal structure is determined, which indicates that the perovskite is stabilized by API. The introduction of the optically active organic ligand API into the hybrid perovskite results in a red shift and a great enhancement of photoluminescence in the perovskite with respect to organic ligand API itself. These results have been explained according to calculation based on density-functional theory. Moreover, the excellent film processing ability for the perovskite (C6H13N3)PbBr4 together with the improved optical properties makes it have potential application in optoelectronic devices.

Organic–inorganic metal halide hybrids beyond perovskites

“…(110) [108]. The Stokes-shifted emission was attributed to the energy transfer from the inorganic components to the organic molecules.…”

Electronic structure calculations and optical properties of a new organic–inorganic luminescent perovskite: (C9H19NH3)2PbI2Br2

“…Here, our aim is not only to simulate absorption from WIEN2k code but also to understand transitions involved in optical absorption and photoluminescence phenomena as well from DOS analysis in zone close to the Fermi level [31]. In this respect, total density of state (TDOS) calculated for (C 9 H 19 NH 3 ) 2 PbI 2 Br 2 crystal is presented in Fig.…”

Broadband‐Emitting 2 D Hybrid Organic–Inorganic Perovskite Based on Cyclohexane‐bis(methylamonium) Cation

“…[8] Insofar,anumber of low-dimensional HOIPs have shown broadband emissionb ased on both linear and cyclic organic cations to templatet he 2D perovskite structure. These include for example:3 -(aminopropyl)imidazole, [9] N1-methylethane-1,2diammonium(N-MEDA), [10] 2,2'(ethylenedioxy)bis(ethylammonium) (EDBE) [11] and cyclohexyla mmonium cation. [13a] Recently, white-light emission has been also shown in 1D structures employing N,N'-dimethylethylenediamine as organic building block.…”

“…[12] It should be noted that broadband emission of the above described 2D HOIPs involves various mechanisms,i ncluding emission either from the defect states, trap states,o r energy transfer. [9][10][11]13] Recently,t he origin of white-light emission in 2D perovskites has been reported to be related to the charge self-trapping phenomena leading to the formation of polaronic excitons localized within the inorganic layers of the perovskite. [13a,b, 14] Such charge self-trapping was shown to be energetically favored in low-dimensional perovskites bearing strong excitonic properties and subjectt os trong distortion of the lead-halide framework.…”