ISIS Neutron and Muon Source Data Journal
This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.
Understanding the entropy-driven polymorphism of hybrid perovskites
Abstract: Hybrid organic-inorganic perovskites (HOIP) such as MAPbI3 (MA = methylammonium, [CH3NH3]+) have attracted tremendous attention over the past years due to their excellent performance in thin film solar cells. Due to their compositional versatility, they are also of great interest in other optoelectronic applications and as next-generation multiferroics. Our computational results show that vibrational entropy plays a critical part in determining polymorph stability of hybrid organic perovskites at different temperatures, suggesting that entropy can be used as a design principle for HOIPs and related materials. We wish to obtain the vibrational density of states directly using inelastic neutron scattering in order to prove and further refine our computational results.
Principal Investigator: Professor Tony Cheetham
Experimenter: Dr Gregor Kieslich
Experimenter: Dr Yue Wu
Local Contact: Dr Jeff Armstrong
Experimenter: Dr Hanna Boström
Experimenter: Dr Emily Reynolds
DOI: 10.5286/ISIS.E.RB1710126
ISIS Experiment Number: RB1710126
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.84771674 | TOSCA | 02 March 2020 | Download |
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 Tony Cheetham et al; (2017): Understanding the entropy-driven polymorphism of hybrid perovskites, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1710126
Data is released under the CC-BY-4.0 license.
