Title Phase transitions, dielectric response, and nonlinear optical properties of aziridinium lead halide perovskites /
Authors Mączka, Mirosław ; Ptak, Maciej ; Gągor, Anna ; Zaręba, Jan K ; Liang, Xia ; Balčiūnas, Sergejus ; Semenikhin, Oleksandr A ; Kucheriv, Olesia I ; Gural’skiy, Il’ya A ; Shova, Sergiu ; Walsh, Aron ; Banys, Jūras ; Šimėnas, Mantas
DOI 10.1021/acs.chemmater.3c02200
Full Text Download
Is Part of Chemistry of materials.. Washington : American Chemical Society. 2023, vol. 35, iss. 22, p. 9725-9738.. ISSN 0897-4756. eISSN 1520-5002
Abstract [eng] Hybrid organic-inorganic lead halide perovskites are promising candidates for next-generation solar cells, light-emitting diodes, photodetectors, and lasers. The structural, dynamic, and phase-transition properties play a key role in the performance of these materials. In this work, we use a multitechnique experimental (thermal, X-ray diffraction, Raman scattering, dielectric, nonlinear optical) and theoretical (machine-learning force field) approach to map the phase diagrams and obtain information on molecular dynamics and mechanism of the structural phase transitions in novel 3D AZRPbX3 perovskites (AZR = aziridinium; X = Cl, Br, I). Our work reveals that all perovskites undergo order-disorder phase transitions at low temperatures, which significantly affect the structural, dielectric, phonon, and nonlinear optical properties of these compounds. The desirable cubic phases of AZRPbX3 remain stable at lower temperatures (132, 145, and 162 K for I, Br, and Cl) compared to the methylammonium and formamidinium analogues. Similar to other 3D-connected hybrid perovskites, the dielectric response reveals a rather high dielectric permittivity, an important feature for defect tolerance. We further show that AZRPbBr3 and AZRPbI3 exhibit strong nonlinear optical absorption. The high two-photon brightness of AZRPbI3 emission stands out among lead perovskites emitting in the near-infrared region.
Published Washington : American Chemical Society
Type Journal article
Language English
Publication date 2023
CC license CC license description