Proton quantum delocalization in lithium imide studied through neutron Compton scattering

DOI

we propose deep inelastic neutron scattering measurements on VESUVIO to investigate the short time proton dynamics in Li2NH. The latter belongs to the Li-H-N system, which has been recently considered for on-board hydrogen storage applications. Theoretical studies found in the ground state a strong delocalisation of the proton over the six equivalent octahedral sites (24e) surrounding the N ions, resulting in a Fm-3m structure. This calculations were made assuming a frozen ionic sub-lattice. As this is a good approximation only at low temperatures, it would be of great interest to examine experimentally this system at a number of different temperatures, including the thermally-assisted hopping regime, where the interaction of the protonic subsystem with the lattice phonons becomes relevant. To this aim, we propose DINS measurements at three different temperatures, namely 4K,300K and 400K

Identifier
DOI https://doi.org/10.5286/ISIS.E.24081605
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/24081605
Provenance
Creator Dr Antonino Pietropaolo; Dr Daniele Colognesi
Publisher ISIS Neutron and Muon Source
Publication Year 2012
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 2009-06-01T08:33:53Z
Temporal Coverage End 2009-06-08T01:40:20Z