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Related Experiment Videos

Solid-state NMR study of the anionic conductor Ca-doped Y(2)Ti(2)O(7).

Namjun Kim1, Clare P Grey

  • 1Department of Chemistry, State University of New York at Stony Brook, Stony Brook, New York 11794-3400, USA.

Dalton Transactions (Cambridge, England : 2003)
|September 29, 2004
PubMed
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Calcium doping in Yttrium Titanate pyrochlores enhances oxygen ionic conductivity. Solid-state NMR reveals oxygen ion mobility near titanium, particularly in doped environments, indicating a mechanism for improved conductivity.

Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Nuclear Magnetic Resonance Spectroscopy

Background:

  • Yttrium Titanate (Y2Ti2O7) is a pyrochlore material with potential applications in solid oxide fuel cells.
  • Doping with divalent cations like Ca2+ has been suggested to improve its oxygen ionic conductivity.
  • Understanding the local atomic environment and ion mobility is crucial for optimizing material performance.

Purpose of the Study:

  • To investigate the local atomic environments of oxygen and yttrium in Ca2+-doped Yttrium Titanate.
  • To elucidate the mechanism of oxygen ion transport in these materials using solid-state NMR.
  • To correlate observed ionic motion with the reported improvements in oxygen ionic conductivity.

Main Methods:

  • Solid-state Nuclear Magnetic Resonance (NMR) spectroscopy using Oxygen-17 ((17)O) and Yttrium-89 ((89)Y) isotopes.

Related Experiment Videos

  • Variable-temperature one-dimensional (1D) (17)O NMR experiments to study dynamic processes.
  • Two-dimensional (17)O magnetization exchange spectroscopy to probe oxygen-ion jumps.

    • Main Results:

    • NMR analysis confirmed the local environments of oxygen and yttrium sites in the doped pyrochlore.
    • Evidence of oxygen-ion jumps between oxygen sites adjacent to titanium was observed.
    • Variable-temperature studies indicated that oxygen motion at ambient temperatures primarily involves the O1 sites and Ca2+-influenced local environments.
    • The O2 oxygen site, coordinated to four yttrium ions, did not participate in the observed motion.

    Conclusions:

    • Ca2+ doping in Yttrium Titanate pyrochlores influences local environments and facilitates oxygen ion mobility.
    • Oxygen ion jumps near titanium sites, particularly involving O1, are a key factor in the moderate ionic conductivity.
    • The O2 site's immobility suggests a specific pathway for ion transport in these materials.