ISIS Neutron and Muon Source Data Journal

Local Structure & Dynamics of the Organic Cation in Photovoltaic Hybrid Perovskites under Pressure

Abstract: Methylammonium lead iodide (MAPI) is one the most promising materials for photovoltaics. Notwithstanding the above, access to the its phase diagram and the underlying structural and dynamical properties has not been a trivial task. Building upon our recent study on TOSCA at ambient pressure [J Phys Chem Lett 7 (2016) 4701], this proposal seeks to extend this work along the pressure axis using the upgraded TOSCA, in order to probe the local structure and underlying motions of the organic cation. Given the soft nature of the material, phase transitions occur at relatively low pressures ca. 0.3-0.4 GPa, yet their precise nature remains a matter of debate. In combination with computational modelling, a detailed study over this pressure range and across the phase transition associated with cation ordering at low temperatures would pave the way for a detailed atomistic model of the material.

Principal Investigator: Professor Felix Fernandez-Alonso
Experimenter: Dr Kacper Druzbicki
Local Contact: Dr Jeff Armstrong
Experimenter: Dr Mattia Gaboardi

DOI: 10.5286/ISIS.E.RB1920011

ISIS Experiment Number: RB1920011

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Professor Felix Fernandez-Alonso et al; (2020): Local Structure & Dynamics of the Organic Cation in Photovoltaic Hybrid Perovskites under Pressure, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1920011

Data is released under the CC-BY-4.0 license.