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

Tomoyuki Yamamoto*, Kazuhiko Kawabata

*この研究の対応する著者

研究成果: Chapter

抄録

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.

本文言語English
ホスト出版物のタイトルMolecular Dynamics of Nanobiostructures
出版社Nova Science Publishers, Inc.
ページ1-23
ページ数23
ISBN(印刷版)9781613243206
出版ステータスPublished - 2013 1月 1

ASJC Scopus subject areas

  • 化学工学(全般)
  • 物理学および天文学(全般)
  • 化学 (全般)

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