Near-edge X-ray absorption fine structure of PdO at O K-edge

Masato Mogi, Yasuhide Inoue, Tomoyuki Yamamoto, Isao Tanaka, Ponnusamy Nachimuthu, Rupert C.C. Perera

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

The first-principles band structure calculations are carried out to interpret the spectral fine structure of the near-edge X-ray absorption fine structure (NEXAFS) spectrum of PdO at the O K-edge by the full-potential augmented plane wave plus local orbitals (APW+lo) method. The observed NEXAFS fine structure of PdO is quantitatively reproduced by our calculations. Three types of PdO polymorph are examined, which show a significant difference in theoretical NEXAFS profile. They can be used as theoretical finger prints for future studies.

Original languageEnglish
Pages (from-to)4057-4059
Number of pages3
JournalJapanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
Volume44
Issue number6 A
DOIs
Publication statusPublished - 2005 Jun 1
Externally publishedYes

Keywords

  • APW+lo
  • Catalyst
  • First-principles calculation
  • Near-edge x-ray absorption fine structure
  • Palladium oxide

ASJC Scopus subject areas

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

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