钙钛矿(结构)
磁滞
材料科学
化学物理
氧气
卤化物
电极
电场
光电子学
光伏系统
太阳能电池
凝聚态物理
纳米技术
化学
无机化学
物理化学
结晶学
电气工程
工程类
物理
有机化学
量子力学
作者
Fan Zhang,Wei Ma,Haizhong Guo,Yicheng Zhao,Xinyan Shan,Kuijuan Jin,He Tian,Qing Zhao,Dapeng Yu,Xinghua Lu,Gang Lü,Sheng Meng
标识
DOI:10.1021/acs.chemmater.5b04019
摘要
Organometal halide perovskite solar cells (PSCs) have emerged as one of the most promising photovoltaic technologies with efficiencies exceeding 20.3%. However, device stability problems including hysteresis in current–voltage scans must be resolved before the commercialization of PSCs. Transient absorption measurements and first-principles calculations indicate that the migration of oxygen vacancies in the TiO2 electrode under electric field during voltage scans contributes to the anomalous hysteresis in PSCs. The accumulation of oxygen vacancies at the electrode/perovskite interface slows down charge extraction while significantly speeding up charge recombination at the interface. Moreover, nonadiabatic molecular dynamics simulations reveal that the charge recombination rates at the interface depend sensitively (with 1 order of magnitude difference) on the locations of oxygen vacancies. By intentionally reducing oxygen vacancies in the TiO2 electrode, we substantially suppress unfavorable hysteresis in the PSC devices. This work establishes a firm link between microscopic interfacial structure and macroscopic device performance of PSCs, providing important clues for future device design and optimization.
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