Layer-dependent optoelectronic property for all-inorganic two-dimensional mixed halide perovskite Cs2PbI2Cl2 with a Ruddlesden-Popper structure

• Published in: Journal of power sources 2020-03, Vol.451, p.227732, Article 227732
• Main Authors: Pan, Ling-Yu, Ding, Yu-Feng, Yu, Zhuo-Liang, Wan, Qiang, Liu, Biao, Cai, Meng-Qiu
• Format: Article
• Language: English
• Subjects: All-inorganic perovskite; Density-functional theory calculations; Exciton-binding energy; Photoluminescent device; Ruddlesden-popper structure
• ISSN: 0378-7753; 1873-2755
• DOI: 10.1016/j.jpowsour.2020.227732

Two-dimensional (2D) organic-inorganic hybrid Ruddlesden-Popper (RP) perovskite materials have attracted considerable attention due to their unique performance and enhanced stability for photovoltaic and photoluminescent devices. However, the optoelectronic properties of 2D all-inorganic RP perovskites remains unclear because of hard-to-experiment synthesis. Therefore, the two-dimensionality how to affect the photoelectric properties of all-inorganic perovskites remains unclear. In this study, we investigate the electrical and optical properties, including the band structures, carrier mobility, optical absorption spectra, and exciton-binding energies for newly synthesized all-inorganic 2D-layered RP perovskite Cs2PbI2Cl2 using density functional theory. The results demonstrate the thickness-dependence of photoelectric properties in 2D-layered RP perovskite Cs2PbI2Cl2. The carrier mobilities and absorption coefficients in the visible spectrum of Cs2PbI2Cl2 are smaller than those of MAPbI3 and Si crystal photovoltaic materials, whereas the exciton-binding energies increase with the decrease in the number of layers, which are obviously higher than those of MAPbI3 and Si crystal. The results show that Cs2PbI2Cl2 is a good material for luminescent devices rather than for photovoltaic cells. This study provides a theoretical basis for other ultra-thin two-dimensional perovskite materials with potential applications in photoluminescent devices. •Thickness-dependence photoelectric properties for 2D RP perovskite Cs2PbI2Cl2.•2D RP perovskite Cs2PbI2Cl2 is a good material for luminescent.•Two-dimensional perovskite with potential applications in photoluminescent devices.