ISIS Neutron and Muon Source Data Journal

Local structure of deuterated perovskite methylammonium lead iodide CD3ND3PbI3

Abstract: Methylammonium lead iodide has recently been recognised as an excellent photovoltaic material, with energy conversion efficient of up to 15% with the prospect of gaining higher efficiencies. The crystal structure shows phase transitions involving ordering of the orientation of the polar methyl ammonium molecular cation. Indeed, at room temperature there is still disorder of this ion. The only technique to give a complete structural description of the disorder in these phases is neutron total scattering coupled with the Reverse Monte Carlo method. We are proposing to apply this approach in the study of this important material.

Principal Investigator: Professor Martin Dove
Experimenter: Mr Gary Chu
Experimenter: Dr Helen Duncan
Experimenter: Mr Dominic Carter
Experimenter: Dr Matthew Tucker
Experimenter: Miss Tingting Zhang
Experimenter: Miss Juan Du
Experimenter: Mr Hang Gu
Experimenter: Dr Ian Swainson
Experimenter: Dr Anthony Phillips
Experimenter: Dr Trystan Watson

DOI: 10.5286/ISIS.E.RB1510530

ISIS Experiment Number: RB1510530

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; (2015): Local structure of deuterated perovskite methylammonium lead iodide CD3ND3PbI3, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1510530

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