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  4. Hydrogen dynamics in the low temperature phase of LiBH4 probed by quasielastic neutron scattering
 
research article

Hydrogen dynamics in the low temperature phase of LiBH4 probed by quasielastic neutron scattering

Remhof, Arndt
•
Zuettel, Andreas  
•
Ramirez-Cuesta, Timmy
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2013
Chemical Physics

LiBH4 contains 18.5 wt% hydrogen and undergoes a structural phase transition (orthorhombic → hexagonal) at 381 K which is associated with a large increase in hydrogen and lithium solid-state mobility. We investigated the hydrogen dynamics in the low temperature phase of LiBH 4 by quasielastic neutron scattering, including a new kind of inelastic fixed window scan (IFWS). In the temperature range from 175 to 380 K the H-dynamics is dominated by thermally activated rotational jumps of the [BH4]- anion around the c3 axis with an activation energy of about 162 meV. In agreement with earlier NMR data, a second type of thermally activated motion with an activation energy of about 232 meV could be identified using the IFWS. The present study of hydrogen dynamics in LiBH4 illustrates the feasibility of using IFWS on neutron backscattering spectrometers as a probe of localised motion. © 2013 Elsevier B.V.

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Type
research article
DOI
10.1016/j.chemphys.2013.07.017
Web of Science ID

WOS:000327773900004

Author(s)
Remhof, Arndt
Zuettel, Andreas  
Ramirez-Cuesta, Timmy
Garcia-Sakai, Victoria
Frick, Bernhard
Date Issued

2013

Published in
Chemical Physics
Volume

427

Start page

18

End page

21

Editorial or Peer reviewed

REVIEWED

Written at

OTHER

EPFL units
LMER  
Available on Infoscience
March 3, 2015
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/112012
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