东南大学学报（自然科学版）2025，Vol.55Issue(3)：658-667,10.DOI:10.3969/j.issn.1001-0505.2025.03.005
Cs2AgBiBr6钙钛矿太阳能电池性能优化及能级调控工程
Performance optimization and energy level regulation engineering of Cs2AgBiBr6 perovskite solar cells
摘要
Abstract
To improve the performance of Cs2AgBiBr6 perovskite solar cells(PSCs),a novel lead-free solar cell with micro-offset energy level structure was proposed through energy level regulation engineering.Its op-toelectronic properties and energy level matching mechanism were investigated employing density functional theory and one-dimensional solar cell simulation software SCAPS-1D.The initial model of SCAPS-1D was verified based on the experimental design,the energy level structure of PSCs was regulated using 10 transport layer materials,and the effects of internal factors and operating temperature on device performance were com-prehensively analyzed.The results show that Cs2AgBiBr6 has favorable optical and electronic properties.When the conduction band offset of Cs2AgBiBr6-based PSCs reaches 0.03 eV and the valence band offset reaches-0.23 eV,the IZGO/Cs2AgBiBr6/Cu2O micro-offset energy level structure significantly improves the photovoltaic performance of the device.This is because the construction of the micro-offset energy level struc-ture improves the carrier transport mechanism of PSCs and facilitates the movement of photogenerated electron-hole pairs between layers.The optimized PSCs power conversion efficiency soared from the initial 1.44%to 20.89%.The results provide new ideas for the high-performance development of lead-free PSCs.关键词
钙钛矿太阳能电池/光电特性/能级调控/微偏移结构/性能优化Key words
perovskite solar cells/optoelectronic properties/energy level regulation/micro-offset structure/performance optimization分类
动力与电气工程引用本文复制引用
张鑫,段伦博..Cs2AgBiBr6钙钛矿太阳能电池性能优化及能级调控工程[J].东南大学学报（自然科学版）,2025,55(3):658-667,10.基金项目
国家自然科学基金联合基金资助项目(U22A20435) （U22A20435）
国家自然科学基金面上资助项目(52276106). （52276106）
