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dc.contributor.authorJørgensen, M.
dc.contributor.authorJensen, Steffen
dc.contributor.authorHumphries, Terry
dc.contributor.authorRowles, Matthew
dc.contributor.authorSofianos, M. Veronica
dc.contributor.authorBuckley, Craig
dc.contributor.authorJensen, T.R.
dc.contributor.authorPaskevicius, Mark
dc.date.accessioned2021-01-05T07:52:15Z
dc.date.available2021-01-05T07:52:15Z
dc.date.issued2020
dc.identifier.citationJørgensen, M. and Jensen, S.R.H. and Humphries, T.D. and Rowles, M.R. and Sofianos, M.V. and Buckley, C.E. and Jensen, T.R. et al. 2020. Hydroxylated closo-Dodecaborates M2B12(OH)12 (M = Li, Na, K, and Cs); Structural Analysis, Thermal Properties, and Solid-State Ionic Conductivity. Journal of Physical Chemistry C. 124 (21): pp. 11340-11349.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/82258
dc.identifier.doi10.1021/acs.jpcc.0c02523
dc.description.abstract

Copyright © 2020 American Chemical Society.

Closo-borates and derivatives thereof have shown great potential as electrolyte materials for all-solid-state batteries owing to their exceptional ionic conductivity and high thermal and chemical stability. However, because of the myriad of possible chemical modifications of the large, complex anion, only a fraction of closo-borate derivatives has so far been investigated as electrolyte materials. Here, the crystal structures, thermal properties, and ionic conductivities of M2B12(OH)12 (M = Li, Na, K, and Cs) are investigated with a focus on their possible utilization as new solid-state ion conductors for solid-state batteries. The compounds generally show rich thermal polymorphism, with eight identified polymorphs among the four dehydrated compounds. Both Li2B12(OH)12 and Na2B12(OH)12 undergo a first-order transition, in which the cation sublattices become disordered, resulting in an order of magnitude jump in ionic conductivity for Na2B12(OH)12. K2B12(OH)12 undergoes a second-order polymorphic transition driven by a change in the anion-cation interaction, with no evidence of dynamic disorder. The ionic conductivities of M2B12(OH)12 range from 1.60 × 10-8 to 5.97 × 10-5 S cm-1 at 250 °C for M = Cs and Li, respectively, showing decreasing conductivity with increasing cation size. Compared with the analogous M2B12H12 compounds, such relatively low conductivities are suggested to be a consequence of strong and directional anion-cation interactions, resulting in a more static anion framework.

dc.publisherACS
dc.relation.sponsoredbyhttp://purl.org/au-research/grants/arc/FT160100303
dc.titleHydroxylated closo-Dodecaborates M2B12(OH)12 (M = Li, Na, K, and Cs); Structural Analysis, Thermal Properties, and Solid-State Ionic Conductivity
dc.typeJournal Article
dcterms.source.volume124
dcterms.source.number21
dcterms.source.startPage11340
dcterms.source.endPage11349
dcterms.source.issn1932-7447
dcterms.source.titleJournal of Physical Chemistry C
dc.date.updated2021-01-05T07:52:15Z
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.orcidBuckley, Craig [0000-0002-3075-1863]
curtin.contributor.orcidHumphries, Terry [0000-0003-1015-4495]
curtin.contributor.orcidRowles, Matthew [0000-0002-7448-6774]
curtin.contributor.orcidPaskevicius, Mark [0000-0003-2677-3434]
curtin.contributor.orcidSofianos, M. Veronica [0000-0002-3311-7649]
curtin.contributor.researcheridBuckley, Craig [B-6753-2013]
curtin.contributor.researcheridPaskevicius, Mark [K-1638-2013]
dcterms.source.eissn1932-7455
curtin.contributor.scopusauthoridBuckley, Craig [56412440100] [7202815196]
curtin.contributor.scopusauthoridHumphries, Terry [12798136600]
curtin.contributor.scopusauthoridRowles, Matthew [24476696900]
curtin.contributor.scopusauthoridPaskevicius, Mark [23025599100]


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