ISIS Neutron and Muon Source Data Journal

Stochastic Cation Dynamics in Photovoltaic Hybrid Perovskites under Pressure

Abstract: Methylammonium lead iodide (MAPI) is one the most promising materials for photovoltaics. Notwithstanding the above, access to its phase diagram and the underlying structural & dynamical properties has not been a trivial task. Building upon our recent study on TOSCA [J Phys Chem Lett 7 (2016) 4701], this proposal seeks to extend this work along the pressure axis using OSIRIS, in order to probe the onset and underlying nature of stochastic 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 synchronous diffraction on OSIRIS and computational modelling, neutron data over this pressure range and across the phase transition associated with cation ordering would pave the way for a detailed atomistic model of the material.

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

DOI: 10.5286/ISIS.E.RB1920012

ISIS Experiment Number: RB1920012

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): Stochastic Cation Dynamics in Photovoltaic Hybrid Perovskites under Pressure, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1920012

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