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Light-Induced Formation of Pb3+ Paramagnetic Species in Lead Halide Perovskites
ACS Energy Letters ( IF 19.3 ) Pub Date : 2018-07-06 00:00:00 , DOI: 10.1021/acsenergylett.8b00944
Silvia Colella 1, 2 , Michela Todaro 3 , Sofia Masi 1, 2 , Andrea Listorti 1, 2 , Davide Altamura 4 , Rocco Caliandro 4 , Cinzia Giannini 4 , Elisa Carignani 5 , Marco Geppi 5 , Daniele Meggiolaro 6, 7 , Gianpiero Buscarino 3 , Filippo De Angelis 6, 7 , Aurora Rizzo 1
Affiliation  

Hybrid halide perovskites are soft materials processed at room temperature, revolutionary players in the photovoltaic field. Nowadays, investigation of the nature and role of defects is seen as one of the key challenges toward full comprehension of their behavior and achievement of high device stability under working conditions. We reveal the reversible generation, under illumination, of paramagnetic Pb3+ defects in CH3NH3PbI3, synthesized in ambient conditions, induced by the presence of Pb–O defects in the perovskite structure that may trap photogenerated holes, possibly mediated by the concomitant oxidation and migration of ions. According to the mechanism that we hypothesize, one charge is trapped for each paramagnetic center generated; thus, it does not contribute to the photocurrent, potentially limiting the solar cell performance. Our study, based on combined experimental/theoretical approach, reveals the dynamic evolution of the perovskite characteristics under illumination that needs to be considered when investigating the material physical–chemical properties.

中文翻译:

卤化钙钛矿中光诱导的Pb 3+顺磁性物质的形成

混合卤化物钙钛矿是在室温下加工的柔软材料,是光伏领域的革命性参与者。如今,对缺陷的性质和作用的研究被视为全面了解其行为并在工作条件下实现高设备稳定性的关键挑战之一。我们揭示了在光照下可逆生成CH 3 NH 3 PbI 3中的顺磁性Pb 3+缺陷是在环境条件下合成的,是由于钙钛矿结构中存在Pb–O缺陷引起的,该缺陷可能会捕获光生空穴,这可能是由于离子的同时氧化和迁移所介导的。根据我们假设的机制,每个产生的顺磁中心都会捕获一个电荷;因此,它不会增加光电流,可能会限制太阳能电池的性能。我们的研究基于实验/理论相结合的方法,揭示了钙钛矿特性在光照条件下的动态演变,在研究材料的物理化学特性时需要考虑这一点。
更新日期:2018-07-06
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