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dc.contributor.authorAn, Taoen
dc.contributor.authorBaikie, Tomen
dc.contributor.authorOrera, Alodiaen
dc.contributor.authorPiltz, Ross O.en
dc.contributor.authorMeven, Martinen
dc.contributor.authorSlater, Peter R.en
dc.contributor.authorWei, Junen
dc.contributor.authorSanjuán, María L.en
dc.contributor.authorWhite, Timothy Johnen
dc.identifier.citationAn, T., Baikie, T., Orera, A., Piltz, R. O., Meven, M., Slater, P. R., et al. (2016). Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes. Journal of the American Chemical Society, 138(13), 4468-4483.en
dc.description.abstractRare earth silicate apatites are one-dimensional channel structures that show potential as electrolytes for solid oxide fuel cells (SOFC) due to their high ionic conductivity at intermediate temperatures (500–700 °C). This advantageous property can be attributed to the presence of both interstitial oxygen and cation vacancies, that create diffusion paths which computational studies suggest are less tortuous and have lower activation energies for migration than in stoichiometric compounds. In this work, neutron diffraction of Nd(28+x)/3AlxSi6–xO26 (0 ≤ x ≤ 1.5) single crystals identified the locations of oxygen interstitials, and allowed the deduction of a dual-path conduction mechanism that is a natural extension of the single-path sinusoidal channel trajectory arrived at through computation. This discovery provides the most thorough understanding of the O2– transport mechanism along the channels to date, clarifies the mode of interchannel motion, and presents a complete picture of O2– percolation through apatite. Previously reported crystallographic and conductivity measurements are re-examined in the light of these new findings.en
dc.description.sponsorshipASTAR (Agency for Sci., Tech. and Research, S’pore)en
dc.description.sponsorshipMOE (Min. of Education, S’pore)en
dc.format.extent24 p.en
dc.relation.ispartofseriesJournal of the American Chemical Societyen
dc.rights© 2016 American Chemical Society. This is the author created version of a work that has been peer reviewed and accepted for publication by Journal of the American Chemical Society, American Chemical Society. It incorporates referee’s comments but changes resulting from the publishing process, such as copyediting, structural formatting, may not be reflected in this document. The published version is available at: [].en
dc.subjectSolid electrolyteen
dc.titleInterstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytesen
dc.typeJournal Articleen
dc.contributor.schoolSchool of Materials Science & Engineeringen
dc.contributor.organizationA*STAR SIMTechen
dc.contributor.researchEnergy Research Institute @ NTU (ERI@N)en
dc.description.versionAccepted versionen
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