Investigation on the role of amines in the liquefaction and recrystallization process of MAPbI3 perovskite,Journal of Materials Chemistry A

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Investigation on the role of amines in the liquefaction and recrystallization process of MAPbI3 perovskite
Journal of Materials Chemistry A ( IF 10.7 ) Pub Date : 2020-06-22 , DOI: 10.1039/d0ta03995k
Xi Yuan Feng _{1,

2,

3,

4,

5} , Kar Wei Ng _{1,

2,

3,

4,

5} , Shuang Peng Wang _{1,

2,

3,

4,

5} , Wen Zhou Chen _{1,

2,

3,

4,

5} , Zhen Zhong Zhang _{6,

7,

8,

9,

10} , Wei Chen _{11,

12,

13,

14,

15} , Yun Yang Zhao _{1,

2,

3,

4,

5} , Bao Tu _{1,

2,

3,

4,

5} , Zi Kang Tang _{1,

2,

3,

4,

5} , Hui Pan _{1,

2,

3,

4,

5} , Zhu Bing He _{11,

12,

13,

14,

15}

Affiliation

Joint Key Laboratory of the Ministry of Education
Institute of Applied Physics and Materials Engineering
University of Macau
Avenida da Universidade
Taipa
State Key Laboratory of Luminescence and Applications
Changchun Institute of Optics
Fine Mechanics and Physics
Chinese Academy of Sciences
Changchun 130033
Department of Materials Science and Engineering
Shenzhen Key Laboratory of Full Spectral Solar Electricity Generation (FSSEG)
Southern University of Science and Technology
Shenzhen
China

The amine-induced very fast liquefaction and recrystallization (L&R) process on organic–inorganic hybrid perovskites has been demonstrated to be an effective way to improve the quality of the as-deposited MAPbI₃ films and increase the feasibility of preparing large area perovskite solar cells (PSCs). Despite the effectiveness, the reaction mechanism of the L&R process is yet to be well understood. In this work, we investigate the fundamental influences of amines on the structural change of MAPbI₃ perovskite by studying the reaction between ammonia and a bulk MAPbI₃ crystal. By employing various techniques including in situ X-ray diffraction, Raman spectroscopy and Fourier transform infrared spectroscopy, we find that NH₃ effectively substitutes iodine in the perovskite crystal lattice, transforming the 3-dimensional (3D) lattice into a MAPb(NH₃)_nI₃ coordination complex-based system. The resulting coordination complex octahedral structures are only held together by weak forces of attraction, leading to the experimentally observed L&R process. First-principles calculations further confirm the feasibility of such L&R at room temperature. As a proof of concept, we demonstrated the use of liquefaction for substrate recycling of MAPbI₃ based solar cells with ammonia. Our results here provide deep insights for understanding the interaction mechanism, which can surely provide important guidance on improving the quality of perovskite films and related devices, as well as the recycling of toxic lead for long-term sustainability.

中文翻译：

胺在钙钛矿MAPbI3液化和重结晶过程中的作用研究

胺诱导的有机-无机杂化钙钛矿上的非常快速的液化和重结晶（L＆R）过程已被证明是一种改善沉积态MAPbI ₃膜质量并增加制备大面积钙钛矿太阳能电池可行性的有效方法。（PSC）。尽管有效，但L＆R过程的反应机理尚未被很好地理解。在这项工作中，我们通过研究氨与大块MAPbI ₃晶体之间的反应，研究了胺对MAPbI ₃钙钛矿结构变化的基本影响。通过采用原位X射线衍射，拉曼光谱和傅立叶变换红外光谱等各种技术，我们发现NH ₃有效地替代钙钛矿晶格中的碘，将3维（3D）晶格转换为基于MAPb（NH ₃）_n I ₃配位配合物的系统。由此产生的配位复杂的八面体结构只能通过弱的吸引力保持在一起，从而导致实验观察到的L＆R过程。第一性原理的计算进一步证实了这种L＆R在室温下的可行性。作为概念的证明，我们证明了液化在MAPbI ₃底物回收中的应用含氨的太阳能电池。我们的结果为深入理解相互作用机理提供了深刻的见解，可以肯定地为改善钙钛矿薄膜和相关设备的质量以及有毒铅的回收提供长期可持续性提供重要指导。

更新日期：2020-07-14

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