Local atomic arrangement and electronic structure of nanocrystalline transition metal oxides determined by X-ray absorption spectroscopy

Seong Ju Hwang, Jin Ho Choy

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41 Citations (Scopus)

Abstract

The local crystal structure and electronic configuration of transition metal in X-ray amorphous MnO2 and CrO2 nanocrystals have been examined by using X-ray absorption (XAS) spectroscopy at Mn K and Cr K-edges. The Mn K-edge XAS study reveals that tetravalent manganese ions are stabilized in α-MnO2-type local atomic arrangement consisting of the intergrowth of edge- and corner-shared MnO6 octahedra. On the other hand, it is found from Cr K-edge XAS results that nanocrystalline CrO2 possesses two different kinds of local structures around chromium, that is, Cr2O3-type with octahedral site and CrO3-type with tetrahedral site. The presence of Cr+VI species on the surface would be helpful for Li grafting process, giving rise to excellent electrochemical performances. This work can be regarded as a strong evidence for the usefulness of XAS to study nanocrystalline electrode materials.

Original languageEnglish
Pages (from-to)5791-5796
Number of pages6
JournalJournal of Physical Chemistry B
Volume107
Issue number24
Publication statusPublished - 2003 Jun 19

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Crystal atomic structure
X ray absorption spectroscopy
X ray absorption
atomic structure
Oxides
Electronic structure
Transition metals
metal oxides
absorption spectroscopy
transition metals
electronic structure
x rays
Chromium
Manganese
Nanocrystals
manganese ions
Crystal structure
Ions
X rays
electrode materials

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry

Cite this

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abstract = "The local crystal structure and electronic configuration of transition metal in X-ray amorphous MnO2 and CrO2 nanocrystals have been examined by using X-ray absorption (XAS) spectroscopy at Mn K and Cr K-edges. The Mn K-edge XAS study reveals that tetravalent manganese ions are stabilized in α-MnO2-type local atomic arrangement consisting of the intergrowth of edge- and corner-shared MnO6 octahedra. On the other hand, it is found from Cr K-edge XAS results that nanocrystalline CrO2 possesses two different kinds of local structures around chromium, that is, Cr2O3-type with octahedral site and CrO3-type with tetrahedral site. The presence of Cr+VI species on the surface would be helpful for Li grafting process, giving rise to excellent electrochemical performances. This work can be regarded as a strong evidence for the usefulness of XAS to study nanocrystalline electrode materials.",
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N2 - The local crystal structure and electronic configuration of transition metal in X-ray amorphous MnO2 and CrO2 nanocrystals have been examined by using X-ray absorption (XAS) spectroscopy at Mn K and Cr K-edges. The Mn K-edge XAS study reveals that tetravalent manganese ions are stabilized in α-MnO2-type local atomic arrangement consisting of the intergrowth of edge- and corner-shared MnO6 octahedra. On the other hand, it is found from Cr K-edge XAS results that nanocrystalline CrO2 possesses two different kinds of local structures around chromium, that is, Cr2O3-type with octahedral site and CrO3-type with tetrahedral site. The presence of Cr+VI species on the surface would be helpful for Li grafting process, giving rise to excellent electrochemical performances. This work can be regarded as a strong evidence for the usefulness of XAS to study nanocrystalline electrode materials.

AB - The local crystal structure and electronic configuration of transition metal in X-ray amorphous MnO2 and CrO2 nanocrystals have been examined by using X-ray absorption (XAS) spectroscopy at Mn K and Cr K-edges. The Mn K-edge XAS study reveals that tetravalent manganese ions are stabilized in α-MnO2-type local atomic arrangement consisting of the intergrowth of edge- and corner-shared MnO6 octahedra. On the other hand, it is found from Cr K-edge XAS results that nanocrystalline CrO2 possesses two different kinds of local structures around chromium, that is, Cr2O3-type with octahedral site and CrO3-type with tetrahedral site. The presence of Cr+VI species on the surface would be helpful for Li grafting process, giving rise to excellent electrochemical performances. This work can be regarded as a strong evidence for the usefulness of XAS to study nanocrystalline electrode materials.

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