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dc.contributor.authorHumphries, Terry
dc.contributor.authorYang, J.
dc.contributor.authorMole, R.A.
dc.contributor.authorPaskevicius, Mark
dc.contributor.authorBird, Julianne
dc.contributor.authorRowles, Matthew
dc.contributor.authorTortoza, Mariana
dc.contributor.authorSofianos, M. Veronica
dc.contributor.authorYu, D.
dc.contributor.authorBuckley, Craig
dc.date.accessioned2021-01-05T07:38:25Z
dc.date.available2021-01-05T07:38:25Z
dc.date.issued2020
dc.identifier.citationHumphries, T.D. and Yang, J. and Mole, R.A. and Paskevicius, M. and Bird, J.E. and Rowles, M.R. and Tortoza, M.S. et al. 2020. Fluorine Substitution in Magnesium Hydride as a Tool for Thermodynamic Control. Journal of Physical Chemistry C. 124 (17): pp. 9109-9117.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/82253
dc.identifier.doi10.1021/acs.jpcc.9b11211
dc.description.abstract

© 2020 American Chemical Society.

Metal hydrides continue to vie for attention as materials in multiple technological applications including hydrogen storage media, thermal energy storage (TES) materials, and hydrogen compressors. These applications depend on the temperature at which the materials desorb and reabsorb hydrogen. Magnesium hydride is ideal as a TES material, although its practical operating temperature is capped at ∼450 °C because of material degradation and high operating pressure. Fluorine substitution for hydrogen in magnesium hydride has previously been shown to increase the operating temperature of the metal hydride while limiting degradation, although full characterization is required before technological application can be ensured. The present study characterizes Mg(HxF1-x)2 solid solutions (x = 1, 0.95, 0.70, 0.85, 0.50, and 0) by inelastic neutron spectroscopy, powder X-ray diffraction, and thermal conductivity measurements, with the results being verified by density functional theory. For each experiment, a clear trend is observed throughout a series of solid solutions, showing the possibility of tuning the properties of MgH2. As F- substitution increases, the average Mg-H(F) bond distance elongates along the axial positions of the Mg-H(F) octahedra. Overall, this leads to an increase in Mg-H bond strength and thermal stability, improving the viability of Mg-H-F as potential TES materials.

dc.languageEnglish
dc.publisherAMER CHEMICAL SOC
dc.relation.sponsoredbyhttp://purl.org/au-research/grants/arc/DP150101708
dc.relation.sponsoredbyhttp://purl.org/au-research/grants/arc/FT160100303
dc.relation.sponsoredbyhttp://purl.org/au-research/grants/arc/LP120101848
dc.relation.sponsoredbyhttp://purl.org/au-research/grants/arc/LP150100730
dc.subjectScience & Technology
dc.subjectPhysical Sciences
dc.subjectTechnology
dc.subjectChemistry, Physical
dc.subjectNanoscience & Nanotechnology
dc.subjectMaterials Science, Multidisciplinary
dc.subjectChemistry
dc.subjectScience & Technology - Other Topics
dc.subjectMaterials Science
dc.subjectTHERMAL-CONDUCTIVITY
dc.subjectVIBRATIONAL-SPECTRUM
dc.subjectX-RAY
dc.subjectHYDROGEN
dc.subjectOPTIMIZATION
dc.subjectSCATTERING
dc.subjectHEAT
dc.subjectMGH2
dc.titleFluorine Substitution in Magnesium Hydride as a Tool for Thermodynamic Control
dc.typeJournal Article
dcterms.source.volume124
dcterms.source.number17
dcterms.source.startPage9109
dcterms.source.endPage9117
dcterms.source.issn1932-7447
dcterms.source.titleJournal of Physical Chemistry C
dc.date.updated2021-01-05T07:38:24Z
curtin.note

This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry C, copyright © American Chemical Society, after peer review and technical editing by the publisher. To access the final edited and published work see 10.1021/acs.jpcc.9b11211.

curtin.departmentJohn de Laeter Centre (JdLC)
curtin.departmentSchool of Electrical Engineering, Computing and Mathematical Sciences (EECMS)
curtin.accessStatusOpen access
curtin.facultyFaculty of Science and Engineering
curtin.contributor.orcidRowles, Matthew [0000-0002-7448-6774]
curtin.contributor.orcidHumphries, Terry [0000-0003-1015-4495]
curtin.contributor.orcidPaskevicius, Mark [0000-0003-2677-3434]
curtin.contributor.orcidBuckley, Craig [0000-0002-3075-1863]
curtin.contributor.orcidSofianos, M. Veronica [0000-0002-3311-7649]
curtin.contributor.orcidTortoza, Mariana [0000-0002-8345-7107]
curtin.contributor.orcidPaskevicius, Mark [0000-0003-2677-3434]
curtin.contributor.researcheridPaskevicius, Mark [K-1638-2013]
curtin.contributor.researcheridBuckley, Craig [B-6753-2013]
dcterms.source.eissn1932-7455
curtin.contributor.scopusauthoridRowles, Matthew [24476696900]
curtin.contributor.scopusauthoridHumphries, Terry [12798136600]
curtin.contributor.scopusauthoridPaskevicius, Mark [23025599100]
curtin.contributor.scopusauthoridBuckley, Craig [56412440100] [7202815196]


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