Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 121, Issue 30, Pages 16174-16181Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.7b05023
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Funding
- Swedish Research Council [2010-3519, 2011-4887]
- Swedish Foundation for Strategic Research [ICAIO-0001]
- International Science Program, Uppsala, Sweden
- Institute of Nuclear Science and Technology
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The evolution of local structure, coordination of protons, and proton conductivity in yttrium-doped barium zirconate, BaZr1-xYxO3-delta (x = 0-0.5), has been investigated using thermal-gravimetric analysis, impedance spectroscopy, and infrared spectroscopy. Low-frequency (50-1000 cm(-1)) infrared absorbance spectra provide evidence of increasing local structural distortions as a function of yttrium concentration as well as subtle differences, mainly linked to the oxygen sublattice, between the dry and hydrated samples. High-frequency (1700-4500 cm(-1)) spectra of the hydrated samples, distinguished by a broad O-H stretch continuum, manifest a varying degree of hydrogen bond interactions between the protons and nearest neighbor oxygens due to the disordered crystal structure with a general weakening in. particular of the strongest hydrogen bonding interactions with increasing dopant levels. It is argued that compositions within the range 0.15 <= x <= 0.3 possess a favorable level of local structural distortions to facilitate high proton conductivity, and this, coupled with a significant proton concentration, may be a factor in explaining the high proton conductivity these phases display.
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