A computational examination of lead free Cs2PtI6 based perovskite solar cell with investigation of several carrier transport materials

Abstract

The current investigation focuses on the computational analysis of the absorber layer Cs₂PtI₆, which is devoid of lead and possesses a low band gap of 1.37 eV. This material is attractive due to its large absorbance coefficient and non-toxic properties. Moreover, one of the most effective methods for enhancing the photovoltaic electrical properties and maximizing its outputs is the selection of more stable and superior charge transfer materials. The materials, MoS₂ and WS₂ were chosen as the most suitable substances for the Hole Transport Layer Material (HTLM) and Electron Transport Layer Material (ETLM) in the device. This work investigates the impact of several factors on the enhancement of a photovoltaic cell using SCAPS-1D computational software. Specifically, the research focuses on the width of the light active film, the concentration of Cs₂PtI₆ defect traps, the concentration of interface defect traps, the acceptor concentration (C_A), influence of back contact, influence of temperature, series resistance (R_s), and shunt resistance (R_sh) and impedance spectroscopy of the Cs₂PtI₆ PSSC. At a temperature of 300 K, the novel configuration FTO/WS₂/Cs₂PtI₆/MoS₂/Pt attains a power conversion efficiency (PCE) of 36.60 %, an open circuit voltage (V_oc) of 1.377 V, a short circuit current density (J_sc) of 30.176 mA/cm², and a fill factor (FF) of 88.03 %, respectively. The summary of results presented here are anticipated to provide assistance and encourage researchers to manufacture this enduring lead-free perovskite solar cell promptly.