Compatibility analysis of novel inorganic cesium perovskites with emerging charge transport layers through design optimization

作者：Anas Ahmad, Shayan Tariq Jan, Haseeb Ahmad Khan, Muhammad Sheraz, Wajahat Ullah Khan Tareen, Teong Chee Chuah, It Ee Lee, Ali Haider · 发表于：Energy Nexus · 年份：2025 · DOI：10.1016/j.nexus.2025.100400 · 被引用次数：4 · 研究领域：Perovskite Materials and Applications、Advanced battery technologies research、Advancements in Solid Oxide Fuel Cells

• Comprehensive device modeling of cesium-based perovskite solar cells (Cs₃Bi₂I₉ and CsSnI₃) was carried out using SCAPS-1D simulator. • Investigated compatibility of cesium-based absorbers with graphene oxide (GO), MoS₂, CeO₂, and WO₃ as charge transport layers (CTLs). • Performance dependency on absorber thickness, CTL doping, carrier mobility, and electron affinity was analyzed and optimized which improved band alignment, electric potential distribution, charge extraction, and reduced recombination losses. • Power conversion efficiency (PCE) increased from initial 1.19 %-18.17 % to final optimized values of 14.14 %-21.52 %. The GO/CsSnI₃/CeO₂ structure achieved the highest PCE of 21.52 %, followed by GO/CsSnI₃/WO₃ (21.4 %) and MoS₂/CsSnI₃/WO₃ (15.64 %). • Demonstrates cesium-based perovskites as promising, nontoxic alternatives to lead-based perovskites for stable and efficient photovoltaics. The widely used Methylammonium lead iodide perovskite face stability challenges due to the organic methylammonium component, which degrades under environmental factors like moisture and heat, leading to toxic lead leakage, poisoning the surroundings. This study analyzes the compatibility of alternative inorganic, nontoxic, cesium-based planar (n-i-p) perovskite solar cells (PSCs), specifically Cs₃Bi₂I₉ and CsSnI₃, with various charge transport layers (CTLs) to enhance power conversion efficiency (PCE). A total of eight PSC configurations were simulated using SCAPS-1D software, with th...