Ab Initio Investigation for Solar Technology on the Optical and Electronic Properties of Double Perovskites Cs₂AgBiX₆(X=Cl, Br, I)

Abstract

First principal computations have been made to explore the optical and electronic characteristics of Cs2AgBiX6 (X=Cl, Br, I) double perovskite. To determine the band gap energy we have used the GGA potentials. The values found for I, Cl, and Br are 0.815, 1.417, and 1.836 eV, respectively. According to our numerical simulation, the Cs2AgBiX6 (X=Cl, Br, I) has an important light absorption coefficient, exceeding a value of 104 cm-1 which makes it a viable absorbing material for solar systems. Other optical properties such as refractive index and dielectric function were also computed in this work. We have found = 7.72, = 5.22, and = 4.12 for I, Cl, and Br, respectively. Regarding the equivalent static refractive indices values of Cs2AgBiX6 (X=Cl, Br, I), we have found 0= 2.77, 0= 2.28, and 0= 2.03 for I, Br, and Cl, respectively. Also, we have used SCAPS software to simulate solar cells made of Cs2AgBiX6 (X=Cl, Br, I). The efficiency, fill factor, and other parameters have computed. Our results are 1.52, 1.08, and 0.54 V and 16.56, 28.65, and 50.25 mA∕cm2 in Voc and Jsc for Cl,Br and I, respectively.

Review—Recent Advancements in Perovskites Solar Cell Materials and the Investigation of Transition Metal Oxide-Based Nanocomposites for Usage in Perovskites Solar Cells

“…More than 75%-80% of the energy required by the globe is supplied by natural gas, oil, and coal. 1,2 The global annual energy consumption presently stands at 15 terawatts, with projections indicating a rise to 30 TW by the year 2050. Fossil fuels are projected to fulfil approximately 80% of the overall demand, with the remaining portion being fulfilled by hydropower, renewable energy, and nuclear power sources.…”