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dc.contributor.authorMiller, David Noel
dc.contributor.authorAzad, Abul Kalam
dc.contributor.authorDelpouve, Heloise
dc.contributor.authorQuazuguel, Lucille
dc.contributor.authorZhou, Jun
dc.contributor.authorSinha, Amit
dc.contributor.authorSolberg Wormald, Filip
dc.contributor.authorIrvine, John Thomas Sirr
dc.date.accessioned2017-03-16T00:35:40Z
dc.date.available2017-03-16T00:35:40Z
dc.date.issued2016-04-21
dc.identifier.citationMiller , D N , Azad , A K , Delpouve , H , Quazuguel , L , Zhou , J , Sinha , A , Solberg Wormald , F & Irvine , J T S 2016 , ' Studies on the crystal structure, magnetic and conductivity properties of titanium oxycarbide solid solution (TiO 1-x C x ) ' , Journal of Materials Chemistry A , vol. 4 , no. 15 , pp. 5730-5736 . https://doi.org/10.1039/C6TA00042Hen
dc.identifier.issn2050-7488
dc.identifier.otherPURE: 241922601
dc.identifier.otherPURE UUID: cb9592da-25e7-4fc3-8096-8f5d6202116b
dc.identifier.otherScopus: 84967167026
dc.identifier.otherWOS: 000374790400044
dc.identifier.otherORCID: /0000-0002-8394-3359/work/68280694
dc.identifier.urihttp://hdl.handle.net/10023/10477
dc.description.abstractTitanium oxides and carbides are often considered as electrode materials in energy conversion and storage devices due to their high potential conductivity and good stability. Titanium monoxide and titanium carbide have structures that can both be described as rocksalt with the same cubic close packed titanium sublattice with oxygen and carbon, respectively, occupying the octahedral interstices; however, the oxide is characterised by extensive defects on both sublattices whilst the carbide is stoichiometric and might be considered as an interstitial metal. Despite the anticipated very different natures of the oxide and carbide sublattices, these two phases actually form a complete solid solution. In the present investigation, we carefully characterise this titanium oxycarbide solid solution, reporting on the crystal structure, magnetic and electronic conduction properties. Titanium oxycarbide powders (TiO1-xCx with x = 0 ≤ x ≤ 1) have been prepared by solid state reactions of TiO and TiC powder under controlled environments at elevated temperatures. X-ray diffraction and pycnometric density measurements illustrate the gradual transition of the crystal structure of titanium oxycarbides from a vacancy containing rock-salt structure of TiO to fully occupied TiC with increase in carbon content in the oxycarbide lattice. The variation of the lattice parameter of the oxycarbide crystal as a function of the carbon content has been found to be non-linear which can be attributed to variations in the level of vacancies present in metal as well as non-metal sublattices. The existence of a short-range ordering of anion vacancies in oxycarbide with a nominal composition of TiO0.5C0.5 where half of oxygen of TiO is replaced by carbon has been confirmed by selected-area electron diffraction studies. Low temperature magnetic and conductivity measurements confirm that all oxycarbide compositions are Pauli paramagnetic and good metallic conductors.
dc.language.isoeng
dc.relation.ispartofJournal of Materials Chemistry Aen
dc.rights© 2016, Publisher / the Author(s). This work is made available online in accordance with the publisher’s policies. This is the author created, accepted version manuscript following peer review and may differ slightly from the final published version. The final published version of this work is available at pubs.rsc.org / https://dx.doi.org/ 10.1039/C6TA00042Hen
dc.subjectQD Chemistryen
dc.subjectNDASen
dc.subject.lccQDen
dc.titleStudies on the crystal structure, magnetic and conductivity properties of titanium oxycarbide solid solution (TiO1-xCx)en
dc.typeJournal articleen
dc.description.versionPostprinten
dc.contributor.institutionUniversity of St Andrews.School of Chemistryen
dc.contributor.institutionUniversity of St Andrews.EaSTCHEMen
dc.identifier.doihttps://doi.org/10.1039/C6TA00042H
dc.description.statusPeer revieweden
dc.date.embargoedUntil2017-03-15


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