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

• Published in: New journal of chemistry 2024-08, Vol.48 (32), p.14336-14353
• Main Authors: Shahadath, Nazmul, Siddique, Md. Abu Bakkar, Tarekuzzaman, Md, Ishraq, Mohammad Hasin, Rahman, Md. Ferdous, Arfi, Asif Mohammed, Rasheduzzaman, Md, Mostafa, S. M. G, Hasan, Md. Zahid
• Format: Article
• ISSN: 1144-0546; 1369-9261
• DOI: 10.1039/d4nj02754j

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 Dy 2 NiMnO 6 (DNMO) as an absorber layer within the proposed structure (ITO/WS 2 , C 60 , 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 WS 2 , C 60 , 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/WS 2 /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 Dy 2 NiMnO 6 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. (a) Crystal structure of Dy 2 NiMnO 6 . (b) Energy band alignment of an optimized solar cell structure of ITO/WS 2 /DNMO/CFTS/Au.