Understanding the Effects of Post-Synthetic Treatments on MAPbI3 using Synchrotron X-ray Diffraction and Solid-State NMR
Jessica Dawber a b, Julien Trébosc c, Mark Green a, Olivier Lafon b
a School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent CT2 7NH, UK
b Univ. Lille, CNRS, UMR 8181-UCCS-Unité de Catalyse et Chimie de Solide, Lille, France
c Univ. Lille, CNRS, FR 2638 – IMEC – Fédération Chevreul, Lille, France
Proceedings of Online Conference on Atomic-level Characterisation of Hybrid Perovskites (HPATOM2)
Online, Spain, 2022 February 2nd - 3rd
Organizers: Michael Hope and Eve Mozur
Oral, Jessica Dawber, presentation 013
DOI: https://doi.org/10.29363/nanoge.hpatom.2022.013
Publication date: 30th October 2021

Methylammonium lead iodide (MAPbI3) is one of the most extensively studied hybrid perovskite materials since it exhibits high photovoltaic conversion efficiencies (> 20%), while substantially reducing production costs over existing technologies. [1-4] However, thermal and moisture stability issues, along with structural variability over the general operating temperatures of a perovskite solar cell (15 – 70 °C), affects their overall photovoltaic performance. [5-6]

Our research focuses on developing post-synthetic annealing treatments that allow us to manipulate the hybrid perovskite materials in the bulk. Most notably, we have stabilised a new cubic phase of MAPbI3 at room temperature. Here we use a combination of X-ray diffraction and solid-state NMR techniques, to characterise the structural modifications in the treated phases. In particular, we show that the post-treatment changes the tilting of the PbI6 octahedra and the dynamics of the methylammonium cation within the inorganic lattice, demonstrating the synergy between the structure and dynamics in these systems and importance for characterisation with multiple techniques. This opens the opportunity for a range of new related hybrid perovskite materials through topotactic transformations.

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