DOI: https://doi.org/10.29363/nanoge.hpatom.2022.006
Publication date: 30th October 2021
Metal-halide perovskites remain top candidates for better-performing photovoltaic devices but concerns with Pb-based materials remain. Much of the work in lead replacement has been focused on Sn perovskites, with photoconversion efficiencies having already surpassed 10%. Ge perovskites remain understudied for use in solar cells compared to their Sn-based counterparts, with only modest efficiencies being reported to date (0.11-0.57%). Detailed structural information is essential for overcoming stability and efficiency issues for these materials. Extensive structural studies exist for both Pb and Sn perovskites, with solid-state nuclear magnetic resonance (NMR) spectroscopy being a key technique in the exploration of perovskites today. We will discuss a combined 133Cs and 73Ge NMR approach to investigate bulk CsGeX3 (X = Cl, Br, I) perovskites. We show how minute structural variations within germanium halide perovskites have major consequences on their 73Ge and 133Cs NMR parameters – with a cubic-like CsGeCl3 phase at room temperature being present having severe local Ge polyhedral distortion. Quantum chemical computations are also shown to be effective at predicting the structural impact on NMR parameters for 73Ge and 133Cs.
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