Exploiting extraordinary flexibility in molecular frameworks: engineering ferroelectric framework materials.

DOI

This experiment is concerned with the response of a high-dielectric constant metal-organic framework (MOF), lead(II) tricyanomethanide, Pb(tcm)2 to applied electric fields. Crystallising in the (rare) polar space group P31m and showing large structural changes with temperature, Pb(tcm) is a promising candidate for understanding MOF ferroelectrics and, more generally, the response of coordination polymers to applied fields. In order to design related phases with superior (ferroelectric) properties we need an understanding of the structural changes that occur in Pb(tcm)2 under applied electric fields e.g. is the mechanism of flexibility activated by temperature also activated by applied field? The measured cell parameters and atomic coordinates will allow us to couple our experiment with ab-initio electron density calculations, from which crystal polarisations can then be determined.

Identifier
DOI https://doi.org/10.5286/ISIS.E.47627024
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/47627024
Provenance
Creator Dr Matthias Gutmann; Dr Matthew Cliffe; Dr John Huber; Dr Chloe Coates; Professor Andrew Goodwin; Mr Joshua Hill
Publisher ISIS Neutron and Muon Source
Publication Year 2017
Rights CC-BY Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact isisdata(at)stfc.ac.uk
Representation
Resource Type Dataset
Discipline Chemistry; Construction Engineering and Architecture; Engineering; Engineering Sciences; Natural Sciences
Temporal Coverage Begin 2014-03-06T00:00:00Z
Temporal Coverage End 2014-03-11T00:00:00Z