Optimization of high efficiency lead-free double perovskite Dy2NiMnO6 (DNMO) for optimal solar cell and renewable energy applications: a numerical SCAPS-1D simulation

Abstract

In recent years, there has been significant research interest in lead-free double perovskite materials owing to their environmentally friendly characteristics. In this study, we investigate the double perovskite material Dy₂NiMnO₆ (DNMO) as an absorber layer within the proposed structure (ITO/WS₂, C₆₀, PCBM/DNMO/CFTS/Au). The structure was analyzed in detail using SCAPS-1D (solar cell capacitance simulator). Our research aims to elucidate how the performance of solar cells is influenced by the selection of appropriate electron transport layer (ETL) and HTL configurations in conjunction with the absorber layer. Device optimization involves testing WS₂, C₆₀, and PCBM as ETL materials, CFTS as HTL, and Au as the back contact. In addition to selecting suitable ETL and HTL materials, various factors such as the absorber, ETL, and HTL thickness, shunt and series resistance, temperature, Mott–Schottky behavior, capacitance, recombination, generation rates, J–V characteristics, and quantum efficiency were investigated. Following thorough exploration, the ITO/WS₂/DNMO/CFTS/Au structure exhibited the highest performance among the ETLs, with a power conversion efficiency (PCE) of 26.72%, a V_oc of 0.7412 V, and a J_sc of 44.6795 mA cm⁻². In this study, we present the highest reported efficiency with a detailed investigation of the Dy₂NiMnO₆ material. This comprehensive simulation analysis offers insights into the development of cost-effective and highly efficient perovskite solar cells (PSCs), thereby driving advancements in solar technology.