Combined use of the synchrotron radiation and the first-principles calculations for the local environment analysis of dopants

Tomoyuki Yamamoto, Kazuhiko Kawabata

    Research output: Chapter in Book/Report/Conference proceedingChapter

    Abstract

    Local environments of dopants in functional ceramic materials synthesized by the solid-state reaction method are systematically investigated by using the X-ray absorption near-edge structure (XANES) analysis with the aid of the first-principles calculations. Four types of materials, (1) bioceramics, (2) dilute magnetic oxide, (3) phosphor and (4) electrolyte ofsolid fuel cell, are chosen to be examined here. This analytical method by combined use of XANES and first-principles calculations has successfully explained the local environment of dopants in the above materials in an atomic scale.

    Original languageEnglish
    Title of host publicationMolecular Dynamics of Nanobiostructures
    PublisherNova Science Publishers, Inc.
    Pages1-23
    Number of pages23
    ISBN (Print)9781613243206
    Publication statusPublished - 2013 Jan

    Fingerprint

    X ray absorption
    Synchrotron radiation
    synchrotron radiation
    Doping (additives)
    Bioceramics
    Functional materials
    Ceramic materials
    Solid state reactions
    Phosphors
    Oxides
    Electrolytes
    fuel cells
    phosphors
    Fuel cells
    x rays
    electrolytes
    ceramics
    solid state
    oxides

    Keywords

    • Bioceramics
    • Dilute magnetic semiconductor
    • First-principles calculation
    • Phosphor
    • Solid fuel cell
    • X-ray absorption near edge structure

    ASJC Scopus subject areas

    • Chemical Engineering(all)
    • Physics and Astronomy(all)
    • Chemistry(all)

    Cite this

    Yamamoto, T., & Kawabata, K. (2013). Combined use of the synchrotron radiation and the first-principles calculations for the local environment analysis of dopants. In Molecular Dynamics of Nanobiostructures (pp. 1-23). Nova Science Publishers, Inc..

    Combined use of the synchrotron radiation and the first-principles calculations for the local environment analysis of dopants. / Yamamoto, Tomoyuki; Kawabata, Kazuhiko.

    Molecular Dynamics of Nanobiostructures. Nova Science Publishers, Inc., 2013. p. 1-23.

    Research output: Chapter in Book/Report/Conference proceedingChapter

    Yamamoto, T & Kawabata, K 2013, Combined use of the synchrotron radiation and the first-principles calculations for the local environment analysis of dopants. in Molecular Dynamics of Nanobiostructures. Nova Science Publishers, Inc., pp. 1-23.
    Yamamoto T, Kawabata K. Combined use of the synchrotron radiation and the first-principles calculations for the local environment analysis of dopants. In Molecular Dynamics of Nanobiostructures. Nova Science Publishers, Inc. 2013. p. 1-23
    Yamamoto, Tomoyuki ; Kawabata, Kazuhiko. / Combined use of the synchrotron radiation and the first-principles calculations for the local environment analysis of dopants. Molecular Dynamics of Nanobiostructures. Nova Science Publishers, Inc., 2013. pp. 1-23
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