Zeitschrift fur Physikalische Chemie, volume 236, issue 6-8, pages 839-851
Anion reorientations and cation diffusion in a carbon-substituted sodium nido-borate Na-7,9-C2B9H12: 1H and 23Na NMR studies
Skripov Alexander V
1
,
Babanova Olga A
1
,
Skoryunov Roman V
1
,
Soloninin Alexei V
1
,
Udovic Terrence J
2, 3
2
NIST Center for Neutron Research, National Institute of Standards and Technology , Gaithersburg , MD 20899-6102 , USA
|
3
Department of Materials Science and Engineering , University of Maryland , College Park , MD 20742-2115 , USA
|
Publication type: Journal Article
Publication date: 2021-09-15
Journal:
Zeitschrift fur Physikalische Chemie
Quartile SCImago
Q2
Quartile WOS
Q3
Impact factor: 2.5
ISSN: 09429352
Physical and Theoretical Chemistry
Abstract
Polyhydroborate-based salts of lithium and sodium have attracted much recent interest as promising solid-state electrolytes for energy-related applications. A member of this family, sodium dicarba-nido-undecahydroborate Na-7,9-C2B9H12 exhibits superionic conductivity above its order-disorder phase transition temperature, ∼360 K. To investigate the dynamics of the anions and cations in this compound at the microscopic level, we have measured the 1H and 23Na nuclear magnetic resonance (NMR) spectra and spin-lattice relaxation rates over the temperature range of 148–384 K. It has been found that the transition from the low-T ordered to the high-T disordered phase is accompanied by an abrupt, several-orders-of-magnitude acceleration of both the reorientational jump rate of the complex anions and the diffusive jump rate of Na+ cations. These results support the idea that reorientations of large [C2B9H12]− anions can facilitate cation diffusion and, thus, the ionic conductivity. The apparent activation energies for anion reorientations obtained from the 1H spin-lattice relaxation data are 314 meV for the ordered phase and 272 meV for the disordered phase. The activation energies for Na+ diffusive jumps derived from the 23Na spin-lattice relaxation data are 350 and 268 meV for the ordered and disordered phases, respectively.
Citations by journals
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Ionics
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Ionics
1 publication, 33.33%
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ACS Symposium Series
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ACS Symposium Series
1 publication, 33.33%
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Zeitschrift fur Physikalische Chemie
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Zeitschrift fur Physikalische Chemie
1 publication, 33.33%
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1
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1
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Springer Nature
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Springer Nature
1 publication, 33.33%
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American Chemical Society (ACS)
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American Chemical Society (ACS)
1 publication, 33.33%
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Walter de Gruyter
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Walter de Gruyter
1 publication, 33.33%
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1
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Skripov A. V. et al. Anion reorientations and cation diffusion in a carbon-substituted sodium nido-borate Na-7,9-C2B9H12: 1H and 23Na NMR studies // Zeitschrift fur Physikalische Chemie. 2021. Vol. 236. No. 6-8. pp. 839-851.
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Skripov A. V., Babanova O. A., Skoryunov R. V., Soloninin A. V., Udovic T. J. Anion reorientations and cation diffusion in a carbon-substituted sodium nido-borate Na-7,9-C2B9H12: 1H and 23Na NMR studies // Zeitschrift fur Physikalische Chemie. 2021. Vol. 236. No. 6-8. pp. 839-851.
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TY - JOUR
DO - 10.1515/zpch-2021-3108
UR - https://doi.org/10.1515%2Fzpch-2021-3108
TI - Anion reorientations and cation diffusion in a carbon-substituted sodium nido-borate Na-7,9-C2B9H12: 1H and 23Na NMR studies
T2 - Zeitschrift fur Physikalische Chemie
AU - Skripov, Alexander V
AU - Babanova, Olga A
AU - Skoryunov, Roman V
AU - Soloninin, Alexei V
AU - Udovic, Terrence J
PY - 2021
DA - 2021/09/15 00:00:00
PB - Walter de Gruyter
SP - 839-851
IS - 6-8
VL - 236
SN - 0942-9352
ER -
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@article{2021_Skripov,
author = {Alexander V Skripov and Olga A Babanova and Roman V Skoryunov and Alexei V Soloninin and Terrence J Udovic},
title = {Anion reorientations and cation diffusion in a carbon-substituted sodium nido-borate Na-7,9-C2B9H12: 1H and 23Na NMR studies},
journal = {Zeitschrift fur Physikalische Chemie},
year = {2021},
volume = {236},
publisher = {Walter de Gruyter},
month = {sep},
url = {https://doi.org/10.1515%2Fzpch-2021-3108},
number = {6-8},
pages = {839--851},
doi = {10.1515/zpch-2021-3108}
}
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Skripov, Alexander V., et al. “Anion reorientations and cation diffusion in a carbon-substituted sodium nido-borate Na-7,9-C2B9H12: 1H and 23Na NMR studies.” Zeitschrift fur Physikalische Chemie, vol. 236, no. 6-8, Sep. 2021, pp. 839-851. https://doi.org/10.1515%2Fzpch-2021-3108.
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