Issue 47, 2021

Optical and magnetic characterization of one-dimensional Cu(ii)-based perovskite: a high UV–Vis–NIR absorber

Abstract

A one dimensional copper(II)-based perovskite, (C5H8N3)[CuCl3], was successfully synthesized. XR-diffraction demonstrates that the mineral framework of this perovskite is formed by infinite needle-like chains [CuCl3], where each Cu2+ ion, with its [4+2] coordination sphere, adopts a nearly tetragonal symmetry. The simultaneous TGA/DSC analyses demonstrate the stability of the material at ambient temperature and up to 130 °C. The convergence of the optical experimental results and the theoretical DFT calculations of the electronic structure demonstrates the semiconducting character of the synthesized compound with an experimental direct band gap energy of 2.21 eV. The optical analysis shows that a cooperative Jahn–Teller effect is manifested around the copper ions. Both ligand to metal charge transfer (LMCT) transitions and crystal field transitions (d–d) make the material suitable for green solar cell applications. The magnetic properties of (C5H8N3)[CuCl3] can be described by a model of S = 1/2 antiferromagnetic dimers with exchange interaction J/kB = −122.7 K.

Graphical abstract: Optical and magnetic characterization of one-dimensional Cu(ii)-based perovskite: a high UV–Vis–NIR absorber

Supplementary files

Article information

Article type
Paper
Submitted
10 sep 2021
Accepted
07 nov 2021
First published
17 nov 2021

J. Mater. Chem. C, 2021,9, 17158-17166

Optical and magnetic characterization of one-dimensional Cu(II)-based perovskite: a high UV–Vis–NIR absorber

W. Jabeur, R. Msalmi, M. Korb, M. Holub, E. Mosconi, E. Čižmár, A. Tozri, N. A. Althubiti and H. Naïli, J. Mater. Chem. C, 2021, 9, 17158 DOI: 10.1039/D1TC04336F

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