Ruiz-Preciado Marco A, Kubicki Dominik J, Hofstetter Albert, McGovern Lucie, Futscher Moritz H, Ummadisingu Amita, Gershoni-Poranne Renana, Zakeeruddin Shaik M, Ehrler Bruno, Emsley Lyndon, Milić Jovana V, Grätzel Michael
Laboratory of Photonics and Interfaces , École Polytechnique Fédérale de Lausanne , Lausanne 1015 , Switzerland.
Laboratory of Magnetic Resonance , École Polytechnique Fédérale de Lausanne , Lausanne 1015 , Switzerland.
J Am Chem Soc. 2020 Jan 22;142(3):1645-1654. doi: 10.1021/jacs.9b13701. Epub 2020 Jan 8.
There has been an ongoing effort to overcome the limitations associated with the stability of hybrid organic-inorganic perovskite solar cells by using different organic agents as additives to the perovskite formulations. The functionality of organic additives has been predominantly limited to exploiting hydrogen-bonding interactions, while the relevant atomic-level binding modes remain elusive. Herein, we introduce a bifunctional supramolecular modulator, 1,2,4,5-tetrafluoro-3,6-diiodobenzene, which interacts with the surface of the triple-cation double-halide perovskite material via halogen bonding. We elucidate its binding mode using two-dimensional solid-state F NMR spectroscopy in conjunction with density functional theory calculations. As a result, we demonstrate a stability enhancement of the perovskite solar cells upon supramolecular modulation, without compromising the photovoltaic performances.
人们一直在努力克服与有机-无机杂化钙钛矿太阳能电池稳定性相关的限制，方法是使用不同的有机试剂作为钙钛矿配方的添加剂。有机添加剂的功能主要限于利用氢键相互作用，而相关的原子级结合模式仍然难以捉摸。在此，我们引入了一种双功能超分子调节剂1,2,4,5-四氟-3,6-二碘苯，它通过卤键与三阳离子双卤化物钙钛矿材料的表面相互作用。我们结合密度泛函理论计算，使用二维固态氟核磁共振光谱阐明了其结合模式。结果，我们证明了超分子调制后钙钛矿太阳能电池的稳定性增强，同时不影响光伏性能。
