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  4. Rotational disorder in lithium borohydride
 
conference paper

Rotational disorder in lithium borohydride

Remhof, Arndt
•
Yan, Yigang
•
Embs, Jan Peter
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Frick, B
•
Koza, Mm
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2015
Qens/Wins 2014 - 11Th International Conference On Quasielastic Neutron Scattering And 6Th International Workshop On Inelastic Neutron Spectrometers
11th International Conference on Quasielastic Neutron Scattering / 6th International Workshop on Inelastic Neutron Spectrometers (QENS/WINS)

LiBH4 has been discussed as a promising hydrogen storage material and as a solid-state electrolyte in lithiumion batteries. It contains 18.5 wt% hydrogen and undergoes a structural phase transition at 381K which is associated with a large increase in rotational disorder of the BH4 anion and the increase of Li conductivity by three orders of magnitude. We investigated the BH4anion dynamic in bulk LiBH4, in LiBH4-LiI solid solutions and in nano-confined LiBH4 by quasielastic neutron scattering, complemented by DFT calculations. In all cases the H-dynamics is dominated by thermally activated rotational jumps of the BH4 anion in the terahertz range. The addition of LiI as well as nano-confinement favours the disordered high temperature phase and lowers the phase transition below room temperatures. The results are discussed on the basis of first principles calculations and in relation to ionic conductivity of Li.

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Type
conference paper
DOI
10.1051/epjconf/20158302014
Web of Science ID

WOS:000351844900016

Author(s)
Remhof, Arndt
Yan, Yigang
Embs, Jan Peter
Sakai, Victoria Garcia
Nale, Angeloclaudio
De Jongh, Petra
Lodziana, Zbigniew
Zuettel, Andreas  
Editors
Frick, B
•
Koza, Mm
•
Boehm, M
•
Mutka, H
Date Issued

2015

Publisher

E D P Sciences

Publisher place

Cedex A

Published in
Qens/Wins 2014 - 11Th International Conference On Quasielastic Neutron Scattering And 6Th International Workshop On Inelastic Neutron Spectrometers
Total of pages

6

Series title/Series vol.

EPJ Web of Conferences

Volume

83

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LMER  
Event nameEvent placeEvent date
11th International Conference on Quasielastic Neutron Scattering / 6th International Workshop on Inelastic Neutron Spectrometers (QENS/WINS)

Autrans, FRANCE

MAY 11-16, 2014

Available on Infoscience
May 29, 2015
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/114485
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