Matches in SemOpenAlex for { <https://semopenalex.org/work/W2022921370> ?p ?o ?g. }
- W2022921370 abstract "We performed a theoretical analysis of ${mathrm{O}}^{2ensuremath{-}}$ diffusion mechanisms in a nanoporous complex oxide $12mathrm{Ca}mathrm{O}∙7{mathrm{Al}}_{2}{mathrm{O}}_{3}$ (C12A7). This material can be viewed as a positively charged framework, arranged in subnanometer sized cages, hosting extra-framework ${mathrm{O}}^{2ensuremath{-}}$ ions occupying one in six cages. Using both classical molecular-dynamics simulations and ab initio calculations we demonstrate that the diffusion of ${mathrm{O}}^{2ensuremath{-}}$ species is dominated by the exchange of framework and extra-framework ${mathrm{O}}^{2ensuremath{-}}$ ions rather than by an interstitial diffusion mechanism. The results allow us to rationalize the origins of the experimentally observed high oxide ion conductivity of C12A7 and the stability of its lattice under positive ion-beam irradiation." @default.
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- W2022921370 date "2006-01-03" @default.
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- W2022921370 title "Mechanisms of oxygen ion diffusion in a nanoporous complex oxide<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:mn>12</mml:mn><mml:mi mathvariant=normal>Ca</mml:mi><mml:mi mathvariant=normal>O</mml:mi><mml:mo>∙</mml:mo><mml:mn>7</mml:mn><mml:msub><mml:mi mathvariant=normal>Al</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant=normal>O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>" @default.
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- W2022921370 doi "https://doi.org/10.1103/physrevb.73.014101" @default.
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