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

doi:10.1143/JJAP.44.4057

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

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

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 language	English
Pages (from-to)	4057-4059
Number of pages	3
Journal	Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
Volume	44
Issue number	6 A
DOIs	https://doi.org/10.1143/JJAP.44.4057
Publication status	Published - 2005 Jun
Externally published	Yes

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)

Access to Document

10.1143/JJAP.44.4057

Cite this

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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.",

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T1 - Near-edge X-ray absorption fine structure of PdO at O K-edge

AU - Mogi, Masato

AU - Inoue, Yasuhide

AU - Yamamoto, Tomoyuki

AU - Tanaka, Isao

AU - Nachimuthu, Ponnusamy

AU - Perera, Rupert C.C.

PY - 2005/6

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N2 - 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.

AB - 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.

KW - APW+lo

KW - Catalyst

KW - First-principles calculation

KW - Near-edge x-ray absorption fine structure

KW - Palladium oxide

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JO - Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers

JF - Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers

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ER -

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

Abstract

Keywords

ASJC Scopus subject areas

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