Optimizing Inorganic Cs₄CuSb₂Cl₁₂/Cs₂TiI₆ Dual-Absorber Solar Cells: SCAPS-1D Simulations and Machine Learning.

ABSTRACT: Perovskite solar cells (PSCs) have emerged as a promising contender in photovoltaics, owing to their rapidly advancing power conversion efficiencies (PCEs) and compatibility with low-temperature solution processing techniques. Single-junction architectures reveal inherent limitations imposed by the Shockley-Queisser (SQ) limit, motivating adoption of a dual-absorber structure comprising Cs4CuSb2Cl12 (CCSC) and Cs2TiI6 (CTI)-lead-free perovskite derivatives valued for environmental benignity and intrinsic stability. Comprehensive theoretical screening of 26 electron/hole transport layer (ETL/HTL) candidates identified SrTiO3 (STO) and CuSCN as optimal charge transport materials, producing an initial simulated PCE of 16.27%. Subsequent theoretical optimization of key parameters-including bul

SUBMITTER: Li X 

PROVIDER: S-EPMC12388759 | biostudies-literature | 2025 Aug

REPOSITORIES: biostudies-literature