O-H stretching vibrations of proton conducting alkaline-earth zirconates

Takahisa Omata, Masanori Takagi, Shinya Otsuka-Yao-Matsuo

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42 Citations (Scopus)


Infrared diffuse reflection spectra of O-H(νOH) and O-D(νOD) stretching vibration regions are used to characterize proton dissolution sites in high temperature proton conductors (HTPCs) of CaZrO3, SrZrO3 and BaZrO3 doped with trivalent Ga3+, In3+ and Y3+ ions. The number of observed νOH band was three, five or six and two, respectively, for the CaZrO3-, SrZrO3- and BaZrO3-based samples. It was inferred that the two lowest bands below 2000 cm-1 observed for SrZrO3-based samples were the νOH bands for hydrogen bonding of O. . .H. Therefore, the number of proton dissolution sites was concluded to be three for the CaZrO3-based samples, three or four for the SrZrO3-based samples and two for the BaZrO3-based samples. The νOH bands were observed at low wave numbers in the order of Sr(Zr,MIII)O3-δ<Ca(Zr,M III)O3-δ<Ba(Zr,MIII)O 3-δ, i.e., hydrogen bonding strength of the dissolved protons is found to be in the order of Ba(Zr,MIII)O 3-δ<Ca(Zr,MIII)O3-δ<Sr(Zr, MIII)O3-δ. The average distances between two oxygen atoms, rO-O, in the original alkaline-earth zirconates are reported as rO-O(SrZrO3)<rO-O(CaZrO 3)<rO-O(BaZrO3). Strong hydrogen bonding was observed for the alkaline earth zirconate with short rO-O. It was concluded that the chemical environment of protons dissolved was primarily affected by crystal structure of the original zirconates.

Original languageEnglish
Pages (from-to)99-109
Number of pages11
JournalSolid State Ionics
Issue number1-2
Publication statusPublished - 2004 Mar 15


  • Infrared spectroscopy
  • Proton conductor
  • Solid electrolyte


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