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

Wiem Jabeur, Rawia Msalmi, Marcus Korb, Mariia Holub, Edoardo Mosconi, Erik Čižmár, Anowar Tozri, Numa A. Althubiti, Houcine Naïli

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)17158-17166
Number of pages9
JournalJournal of Materials Chemistry C
Volume9
Issue number47
DOIs
Publication statusPublished - 21 Dec 2021

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