ISIS Neutron and Muon Source Data Journal

Pressure-induced phase transitions in methylammonium lead iodide

Abstract: Methylammonium lead iodide has recently been recognised as an excellent photovoltaic material, with energy conversion efficient of over 20% with the prospect of gaining higher efficiencies. The crystal structure at ambient shows two phase transitions involving ordering of the orientation of the polar methylammonium molecular cation and tilts of the PbI6 octahedra. Recently there has been a report of a high-pressure phase transition to a completely new phase. We plan to study this phase transition, exploiting the fact that neutron diffraction can give detail on this system (such as concerning the orientation of the methylammonium molecular cation) that cannot be obtained by x-ray diffraction. Understanding the structural flexibility of this material under changing conditions (temperature and/or pressure) is important to support future developments.

Principal Investigator: Professor Martin Dove
Experimenter: Miss Manting QIU
Experimenter: Miss Ling Wang
Experimenter: Miss Lei Tan
Experimenter: Mr Mark Wilkinson
Local Contact: Dr Craig Bull
Experimenter: Dr Anthony Phillips
Experimenter: Dr Ian Swainson
Experimenter: Miss Jiaxun Liu

DOI: 10.5286/ISIS.E.RB1620370

ISIS Experiment Number: RB1620370

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 Martin Dove et al; (2016): Pressure-induced phase transitions in methylammonium lead iodide, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1620370

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