Proceedings of International Conference on Perovskite Thin Film Photovoltaics, Photonics and Optoelectronics (ABXPV18PEROPTO)
DOI: https://doi.org/10.29363/nanoge.abxpvperopto.2018.034
Publication date: 11th December 2017
Colloidal metal halide perovskite nanocrystals recently emerged as promising candidate materials for optoelectronic applications such as light-emitting diodes (LEDs), lasing, fluorescence lifetime imaging (FLIM), and solar cells. Despite the superior optoelectronic properties found in fundamental studies, building efficient and long-lasting devices from perovskite nanocrystals remains a challenge: the unstable composition, related to its ionic core, combined with the labile ligand binding5 lead to structural degradation; it complicates the post-synthesis purification routines, limits the options for ligand exchange, and reduces the colloidal stability. A higher degree of control over nanocrystal surface properties may mitigate those effects, i.e. increase the nanocrystals’ purity, versatility, and durability, respectively.
In this study, we introduce a structural framework for classification of the perovskite nanocrystal core and the surface, deduce the most commonly found aging mechanism using density functional theory, and compute its effect on the electronic structure. Based on our detailed insight into the aging process at the perovskite nanocrystal surface, we propose a general strategy for increasing colloidal stability and eliminating traps. The latter may also serve as a guideline for developing passivation strategies for grain boundaries in thin-film devices (e.g. solar cells), possibly also of other semiconducting materials.
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