CNR ExploRA

Articolo in rivista, 2022, ENG, 10.1039/d2ra04676h

A promising 1D Cd-based hybrid perovskite-type for white-light emission with high-color-rendering index

Mahdi Gassara, Rawia Msalmi, Xinghui Lui, Fredj Hassen, Anna Moliterni, Naoufel Ben Hamadi, Ahlem Guesmi, Lotfi Khezami, Taoufik Soltani, Houcine Naili

Department of Chemistry, Faculty of Sciences of Sfax, Sfax University, Tunisia; Department of Chemistry, Sungkyunkwan University (SKKU), Jangan-Gu, Suwon , Republic of Korea; Faculté des Sciences de Monastir, Université de Monastir, Monastir, Tunisia; Institute of Crystallography-CNR, Bari, Italy; Chemistry Department, IMSIU (Imam Mohammad Ibn Saud Islamic University), Riyadh, Saudi Arabia; Faculty of Sciences of Tunis, University of Tunis El Manar, Tunis, Tunisia

A one dimensional (1D) perovskite-type (C6H7NBr)3[CdBr5] (abbreviated 4-BAPC) was synthesized by slow evaporation at room temperature (RT). 4-BAPC crystalizes in the monoclinic system with the space group P21/c. The 1D inorganic chains are formed by corner sharing CdBr6 octahedra. Thermal measurement shows that 4-BAPC is stable up to 190 °C. Optical characterization demonstrates that the grown crystal is an indirect bandgap material with a bandgap value of 3.93 eV, which is consistent with theoretical calculations. The electronic structure, calculated using density functional theory, reveals that the valence band originates from a combination of Br-4p orbitals and Cd-4d orbitals, whereas the conduction band originates from the Cd-5s orbitals. The photoluminescence spectroscopy shows that the obtained material exhibits a broad-band white light emission with extra-high CRI of 98 under lambda-exc=380 nm. This emission is mainly resulting from the self-trapped exciton recombinations within the inorganic CdBr6 octahedron, and the fluorescence within the organic conjugated ammonium salt.

RSC advances 12 , pp. 33516–33524