Hope Michael A, Nakamura Toru, Ahlawat Paramvir, Mishra Aditya, Cordova Manuel, Jahanbakhshi Farzaneh, Mladenović Marko, Runjhun Rashmi, Merten Lena, Hinderhofer Alexander, Carlsen Brian I, Kubicki Dominik J, Gershoni-Poranne Renana, Schneeberger Thomas, Carbone Loï C, Liu Yuhang, Zakeeruddin Shaik M, Lewinski Janusz, Hagfeldt Anders, Schreiber Frank, Rothlisberger Ursula, Grätzel Michael, Milić Jovana V, Emsley Lyndon
Laboratory of Magnetic Resonance, École Polytechnique Fédérale de Lausanne, Lausanne CH-1015, Switzerland.
Laboratory of Photonics and Interfaces, École Polytechnique Fédérale de Lausanne, Lausanne CH-1015, Switzerland.
J Am Chem Soc. 2021 Jan 27;143(3):1529-1538. doi: 10.1021/jacs.0c11563. Epub 2021 Jan 14.
The use of layered perovskites is an important strategy to improve the stability of hybrid perovskite materials and their optoelectronic devices. However, tailoring their properties requires accurate structure determination at the atomic scale, which is a challenge for conventional diffraction-based techniques. We demonstrate the use of nuclear magnetic resonance (NMR) crystallography in determining the structure of layered hybrid perovskites for a mixed-spacer model composed of 2-phenylethylammonium (PEA) and 2-(perfluorophenyl)ethylammonium (FEA) moieties, revealing nanoscale phase segregation. Moreover, we illustrate the application of this structure in perovskite solar cells with power conversion efficiencies that exceed 21%, accompanied by enhanced operational stability.
使用层状钙钛矿是提高混合钙钛矿材料及其光电器件稳定性的重要策略。然而，调整其性能需要在原子尺度上进行精确的结构测定，这对传统的基于衍射的技术来说是一项挑战。我们展示了利用核磁共振（NMR）晶体学来确定由2-苯乙铵（PEA）和2-（全氟苯基）乙铵（FEA）部分组成的混合间隔模型的层状混合钙钛矿结构，揭示了纳米级相分离。此外，我们说明了这种结构在功率转换效率超过21%且操作稳定性增强的钙钛矿太阳能电池中的应用。
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