Design and numerical simulation of Sb2S3 based p-i-n structured planar solar cell using SCAPS-1D software

Abstract

Sb₂S₃ is an emerging layered chalcogenide semiconductor with outstanding properties suitable for solar cells. While Sb₂S₃ solar cells have been fabricated in various configurations, the highest efficiency achieved to date is 8 %. As a prior step to the fabrication of the Sb₂S₃-based solar cell here numerical simulation is performed to identify the optimal parameters for achieving maximum efficiency with the proposed layers. In this work, the Sb₂S₃ solar cell is designed in p-i-n configuration with CuCrO₂ and TiO₂ as hole and electron transport layers, respectively. The ideal parameters of the individual layers, such as carrier density, thickness, and bandgap to attain maximum efficiency, are determined using SCAPS 1D software. The simulation of band alignment between Sb₂S₃ and the carrier transport layers predicted a favorable carrier transfer to the respective layers. Additionally, the roles of interfacial defect density, illumination intensity and operating temperature are also analyzed. The basic configuration Au/CuCrO₂/Sb₂S₃/TiO₂/Ag proved its potential for a conversion efficiency of up to 26 % together with a significant V_oc, J_sc and FF of 1.10 V, 26.82 mA/cm² and 87.66 %. The optical transparency and chemical stability of the carrier selective layers promote maximum light absorption by the absorber which is highly limited to the conventional organic carrier transport layers.