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

Sb 2 S 3 is an emerging layered chalcogenide semiconductor with outstanding properties suitable for solar cells. While Sb 2 S 3 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 Sb 2 S 3 -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 Sb 2 S 3 solar cell is designed in p-i-n configuration with CuCrO 2 and TiO 2 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 Sb 2 S 3 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/CuCrO 2 /Sb 2 S 3 /TiO 2 /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/cm 2 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. • CuCrO 2 /Sb 2 S 3 /TiO 2 solar cell is designed in p-i-n structure with 26 % efficiency. • High efficiency is obtained for a reduced absorber layer thickness of 700 nm. • Band alignment of Sb 2 S 3 with CuCrO 2 and TiO 2 is highly favorable for carrier transport. • The parameters of different layers are optimized for experimental study. • Deposition of CuCrO 2 , Sb 2 S 3 and TiO 2 thin films are carried out under high vacuum conditions.