ISIS Neutron and Muon Source Data Journal

Quasi-elastic neutron study of the organic cation dynamics in single-crystal CH3NH3PbI3, resolved in 3D reciprocal space

Abstract: Solar cells based on a layer of halide perovskite have recently seen rapid increases in efficiency, with certified values in excess of 20%. The prototypical material of this class is the methyl-ammonium-containing halide perovskite CH3NH3PbI3. Very recently, the phase transitions and dynamic disorder of this structure, which has been extensively studied since the eighties, have come under renewed scrutiny, since they appear to be related to key photovoltaic performance parameters. Here, we propose to directly resolve the reorientation dynamics of the CH3NH3 molecule for the first time, via single-crystal quasi-elastic neutron scattering resolved in 3D reciprocal space, on OSIRIS as a continuation of a previous experiment. This will allow the detailed study of the CH3NH3 reorientation and its effect on the phase transitions and symmetry of the low temperature phases.

Principal Investigator: Professor Paolo Radaelli
Experimenter: Professor Felix Fernandez-Alonso
Experimenter: Professor Henry Snaith
Experimenter: Dr Roger Johnson
Experimenter: Mr James Beilsten-Edmands
Experimenter: Dr Amir Abbas Haghighirad
Local Contact: Dr Jeff Armstrong

DOI: 10.5286/ISIS.E.RB1710240

ISIS Experiment Number: RB1710240

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 Paolo Radaelli et al; (2017): Quasi-elastic neutron study of the organic cation dynamics in single-crystal CH3NH3PbI3, resolved in 3D reciprocal space, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1710240

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