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Revealing phase evolution mechanism for stabilizing formamidinium-based lead halide perovskites by a key intermediate phase
Chem ( IF 19.1 ) Pub Date : 2021-08-13 , DOI: 10.1016/j.chempr.2021.07.011
Zi-Ang Nan 1 , Liang Chen 1 , Qi Liu 1 , Su-Heng Wang 1 , Zhi-Xin Chen 1 , Shao-Yu Kang 1 , Jia-Bao Ji 2 , Yan-Yan Tan 1 , Yong Hui 1 , Jia-Wei Yan 1 , Zhao-Xiong Xie 1 , Wan-Zhen Liang 1 , Bing-Wei Mao 1 , Zhong-Qun Tian 1
Affiliation  

FAPbI3 (FA+ = formamidinium) perovskite, one of the most efficient basic components in nowadays perovskite solar cells (PCSs), undergoes spontaneous phase transition while molecular-level investigations are still lacking. Here, we report a structural study on the phase transition process of the FA-based perovskites based on isolation and identification of a series of single crystal intermediates. A key intermediate of 8H phase with unique structure is discovered, which helps elucidate the complete phase evolution and stabilization mechanism of FA-based perovskites. Our new insight based on the Pauling’s rules not only deepens the understanding of the phase stabilization roles of cations and anions in maximizing the concentrations of corner-sharing halogens and cubic cages but also forms suggestion for fabrication of high-performance and long-term stable PCSs by controlling the factors such as composition, precursor solution, stoichiometry, and additives.



中文翻译:

揭示通过关键中间相稳定甲脒基卤化铅钙钛矿的相演化机制

FAPbI 3 (FA + = 甲脒) 钙钛矿是当今钙钛矿太阳能电池 (PCS) 中最有效的基本成分之一,经历了自发相变,但仍缺乏分子水平的研究。在这里,我们报告了基于一系列单晶中间体的分离和鉴定的 FA 基钙钛矿相变过程的结构研究。发现了具有独特结构的 8H 相的关键中间体,这有助于阐明 FA 基钙钛矿的完整相演化和稳定机制。

更新日期:2021-09-09
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