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Temperature-Dependent Infrared Spectroscopy of Proton-Conducting Hydrated Perovskite BaInxZr1-xO3-x/2 (x=0.10-0.75)

Karlsson, Maths LU ; Matic, Aleksandar; Zanghellini, Ezio and Ahmed, Istaq (2010) In Journal of Physical Chemistry C 114(13). p.6177-6181
Abstract
We investigate the temperature dependence of the O-H stretch band in the infrared absorbance spectra of the proton-conducting hydrated perovskites BaInxZr1-xO3-x/2 (x = 0.10-0.75) over the temperature range -160 to 350 degrees C. Upon increasing temperature from -160 to 30 degrees C, we show that there is a redistribution of protons from nonsymmetrical structural configurations, such as Zr-OH-In and Zr-OH-Zr-vacancy, where the degree of hydrogen bonding between the protons and neighboring oxygens is strong, to symmetrical configurations, such as Zr-OH-Zr and In-OH-In, where hydrogen bonding is weaker. Spectra measured at elevated temperatures, 30-350 degrees C, indicate preferential desorption of protons in sites where the degree of... (More)
We investigate the temperature dependence of the O-H stretch band in the infrared absorbance spectra of the proton-conducting hydrated perovskites BaInxZr1-xO3-x/2 (x = 0.10-0.75) over the temperature range -160 to 350 degrees C. Upon increasing temperature from -160 to 30 degrees C, we show that there is a redistribution of protons from nonsymmetrical structural configurations, such as Zr-OH-In and Zr-OH-Zr-vacancy, where the degree of hydrogen bonding between the protons and neighboring oxygens is strong, to symmetrical configurations, such as Zr-OH-Zr and In-OH-In, where hydrogen bonding is weaker. Spectra measured at elevated temperatures, 30-350 degrees C, indicate preferential desorption of protons in sites where the degree of hydrogen bonding is strong, and show that the materials gradually dehydrate with increasing temperature. The dehydration rate is found to be highest in the temperature range 275-325 degrees C. Furthermore, the spectroscopic results indicate that strong hydrogen bonding, caused by dopant-induced short-range structural distortions, is favorable for high proton mobility and that the rate-limiting step in the conduction mechanism is the proton transfer between neighboring oxygens. (Less)
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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
Journal of Physical Chemistry C
volume
114
issue
13
pages
6177 - 6181
publisher
The American Chemical Society
external identifiers
  • wos:000276096200061
  • scopus:77950592860
ISSN
1932-7447
DOI
10.1021/jp910307u
language
English
LU publication?
yes
id
e99d9c81-7b2a-4b11-ab9c-f4f2ce7caca9 (old id 1587031)
date added to LUP
2010-04-27 12:11:43
date last changed
2018-06-10 03:02:21
@article{e99d9c81-7b2a-4b11-ab9c-f4f2ce7caca9,
  abstract     = {We investigate the temperature dependence of the O-H stretch band in the infrared absorbance spectra of the proton-conducting hydrated perovskites BaInxZr1-xO3-x/2 (x = 0.10-0.75) over the temperature range -160 to 350 degrees C. Upon increasing temperature from -160 to 30 degrees C, we show that there is a redistribution of protons from nonsymmetrical structural configurations, such as Zr-OH-In and Zr-OH-Zr-vacancy, where the degree of hydrogen bonding between the protons and neighboring oxygens is strong, to symmetrical configurations, such as Zr-OH-Zr and In-OH-In, where hydrogen bonding is weaker. Spectra measured at elevated temperatures, 30-350 degrees C, indicate preferential desorption of protons in sites where the degree of hydrogen bonding is strong, and show that the materials gradually dehydrate with increasing temperature. The dehydration rate is found to be highest in the temperature range 275-325 degrees C. Furthermore, the spectroscopic results indicate that strong hydrogen bonding, caused by dopant-induced short-range structural distortions, is favorable for high proton mobility and that the rate-limiting step in the conduction mechanism is the proton transfer between neighboring oxygens.},
  author       = {Karlsson, Maths and Matic, Aleksandar and Zanghellini, Ezio and Ahmed, Istaq},
  issn         = {1932-7447},
  language     = {eng},
  number       = {13},
  pages        = {6177--6181},
  publisher    = {The American Chemical Society},
  series       = {Journal of Physical Chemistry C},
  title        = {Temperature-Dependent Infrared Spectroscopy of Proton-Conducting Hydrated Perovskite BaInxZr1-xO3-x/2 (x=0.10-0.75)},
  url          = {http://dx.doi.org/10.1021/jp910307u},
  volume       = {114},
  year         = {2010},
}