A new lead-free 1D hybrid copper perovskite and its structural, thermal, vibrational, optical and magnetic characterization

A hybrid material based on a 1D copper chloride perovskite network with hexahydro-1,4-diazepine, (C5H14N2)[CuCl4], was grown at room temperature by slow evaporation. This compound crystallizes in the monoclinic space group P2(1)/n. The framework is constructed from double edge-sharing copper chloride chains surrounded by organic cations to form a multiquantum well structure. The TG-DTA measurement shows that our compound is stable at ambient temperature and exhibits an endothermic phase transition at 83 degrees C. UV-Vis spectroscopy reveals that the Jahn-Teller effect arising at the Cu2+ cation within the CuCl6 octahedra confers additional flexibility to the structure. The gap energy value was estimated to be 2.56 eV, which indicates that the new hybrid compound should be a semiconducting material. To the best of our knowledge, this is the first 1D copper(ii) based perovskite, laying the foundation for further development of perovskites as alternative lead-free materials for solar cells. Magnetic measurements indicate the absence of magnetic interactions which are proposed to result from the cancelation of antiferromagnetic and ferromagnetic contributions.

Automated summary

A hybrid material based on a 1D copper chloride perovskite network with hexahydro-1,4-diazepine was synthesized, showing good thermal stability and semiconductor properties. This compound is the first 1D copper(ii) based perovskite, paving the way for further development of perovskites as alternative lead-free materials for solar cells. Magnetic measurements indicate the absence of magnetic interactions, possibly due to the cancelation of antiferromagnetic and ferromagnetic contributions.