Proceedings of nanoGe Fall Meeting 2021 (NFM21)
DOI: https://doi.org/10.29363/nanoge.nfm.2021.133
Publication date: 23rd September 2021
Further breakthroughs in perovskite solar cells require advances in new compositions and underpinning materials science. Indeed, a deeper understanding of these complex hybrid perovskites requires atomic-scale characterization of their transport, electronic and stability behaviour. This presentation will describe combined atomistic modelling and experimental studies on hybrid perovskites [1-5] in two related areas: (i) pathways and energetics of iodide ion transport and the effect of incorporating different sized A-cations including guanidinium-doped and ‘hollow’ type systems; (ii) structure–electronic property relationships and degradation mechanisms in Pb- and Sn-based iodide perovskites including 2D Ruddlesden-Popper type structures.
[1] L. Lanzetta et al., Nature Commun. 12, 2853 (2021); [2] A. Senocrate et al., Chem. Mater. 33, 719 (2021); [3] N. Zibouche, M.S. Islam, ACS Appl. Mater. Interfaces, 12, 15328 (2020); [4] D.W. Ferdani et al., Energy Env. Sci., 12, 2264 (2019); [5] N. Aristidou et al., Nature Commun., 8, 15218 (2017).
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