Hydrogen Insertion into Zirconium- and Vanadium-Substituted Substoichiometric Titanium Carbides: a Neutron Compton Scattering View

DOI

Despite the insight provided by the ab initio approach, there still remain some important questions concerning the hydrogen insertion in new hydrogen storage systems, Ti0.9V0.1C0.6 and Ti0.9Zr0.1C0.6. It is still largely unknown whether H is located in these materials, in octahedral and-or tetrahedral sites of the fcc structure or elsewhere. Secondly and more importantly for the future development of the hydrogen storage technology, ab initio calculation and electrochemistry results from Ti0.9V0.1C0.6 and Ti0.9Zr0.1C0.6 show that hydrogen storage is drastically increased in presence of Zr, but strongly decreased in presence of V. The main goal of the proposed experiment is to verify if zirconium attracts more hydrogen atoms around the Zr-C vacancy in Ti0.9Zr0.1C0.6Hx. This question will be addressed using perform mass-resolved neutron spectroscopy and simultaneous neutron diffraction

Identifier
DOI https://doi.org/10.5286/ISIS.E.84424304
Metadata Access https://icatisis.esc.rl.ac.uk/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:icatisis.esc.rl.ac.uk:inv/84424304
Provenance
Creator Dr Matthew Krzystyniak; Dr Jinchuan Jie; Dr Haimin Ding; Dr Jinfeng Wang
Publisher ISIS Neutron and Muon Source
Publication Year 2020
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; Natural Sciences
Temporal Coverage Begin 2017-03-16T09:00:00Z
Temporal Coverage End 2017-03-25T09:00:00Z