钙钛矿(结构)
卤化物
结晶
路易斯酸
二甲基甲酰胺
无机化学
化学
配位复合体
二甲基乙酰胺
催化作用
有机化学
溶剂
金属
作者
J. Clay Hamill,Oluwaseun Romiluyi,Steven Thomas,Jacquelyn Cetola,Jeffrey Schwartz,Michael F. Toney,Paulette Clancy,Yueh‐Lin Loo
标识
DOI:10.1021/acs.jpcc.0c03465
摘要
Strong coordination between Lewis-basic processing additives and the Lewis-acidic lead halide in hybrid organic–inorganic perovskite (HOIP) precursor solutions is required to solubilize the lead halide, and subsequently access the appropriate crystallization kinetics and attain the desired morphology of perovskite active layers. While oxygen-donor solvents and additives, such as dimethylformamide and dimethyl sulfoxide, are widely used for perovskite processing, we demonstrate that "soft" sulfur-donor solvents exhibit stronger coordination to the "borderline soft" Lewis acid Pb2+ center of PbI2 relative to "hard" O-donor solvents in the precursor solution. The stronger coordination of S-donor solvents compared to O-donor solvents to Pb2+ implies that such compounds can be useful additives to HOIP precursor solutions. Density-functional calculations of the enthalpy change resulting from the coordination of solvents to Pb2+ provide direct numerical comparison of the strength of O-donor and S-donor coordination with Pb2+ and expands the library of candidate S-donor compounds. Our results provide a roadmap for processing additive selection and expand the previously limited choice of perovskite processing additives to include strongly coordinating S-donor compounds.
科研通智能强力驱动
Strongly Powered by AbleSci AI