Proton mobility in Solid Super Proton Conductor CsHSO4

DOI

As a natural continuation of RB1010524, we propose to perform NCS measurements on CsHSO4 around the super protonic phase transition at 414 K. Our methodology to compute atomic momentum distributions from first-principles, recently tested on simple hydrides and the adsorption of molecular hydrogen in nanoporous hosts, will be used to contrast the NCS data with ab initio results using CASTEP. Use of a generalized non-Gaussian model to analyse NCS data will provide fresh insights into the anharmonic and anisotropic character of the effective local Born-Oppenheimer potential around the proton in CsHSO4. This experiment will also serve to assess the general applicability of NCS in the study of protonic conductors at operating temperatures.

Identifier
DOI https://doi.org/10.5286/ISIS.E.24089213
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24089213
Provenance
Creator Professor Felix Fernandez-Alonso; Dr Matthew Krzystyniak; Dr Selena Richards
Publisher ISIS Neutron and Muon Source
Publication Year 2015
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 Photon- and Neutron Geosciences
Temporal Coverage Begin 2012-07-26T06:48:24Z
Temporal Coverage End 2012-07-31T20:04:43Z