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Persistent URL
http://purl.org/net/epubs/work/60389
Record Status
Checked
Record Id
60389
Title
Time and frequency resolved hydrogen dynamics in deuterated LiBH4
Contributors
R Gremaud (Swiss Federal Laboratories for Materials Testing and Research, Hydrogen & Energy)
,
ER Andresen (Zürich U.)
,
AJ Ramirez-Cuesta (STFC Rutherford Appleton Lab.)
,
K Refson (STFC Rutherford Appleton Lab.)
,
Z Lodziana (Swiss Federal Laboratories for Materials Testing and Research, Hydrogen & Energy)
,
A Zuttel (Swiss Federal Laboratories for Materials Testing and Research, Hydrogen & Energy)
,
P Hamm (Zürich U.)
,
A Borgschulte (Swiss Federal Laboratories for Materials Testing and Research, Hydrogen & Energy)
Abstract
We study deuterated tetrahydroborate LiBH4 in the low-temperature (LT) phase, focusing on the BH (BD) stretching vibrations, by infrared (IR) and IR-pump-probe spectroscopy. Calculated infrared spectra by density functional theory allow us to disentangle the contributions coming from all the coexisting BH4-nDn (n = 0…4) molecular units. We report on anharmonicity and vibrational lifetime (1.6 ps) of the BD vibrations, as well as on the BH2D2 orientational relaxation by polarization anisotropy IR-pump-probe measurements. We find a constant anisotropy for at least 5 ps confirming the slow reorientational motion and low thermal disorder of the BH4 unit in the LT phase of this potential hydrogen storage material.
Organisation
ISIS
,
CSE
,
ISIS-TOSCA
,
CSE-CMSG
,
STFC
Keywords
ISIS 2011
,
Materials
,
Physics
,
Chemistry
Funding Information
Related Research Object(s):
Licence Information:
Language
English (EN)
Type
Details
URI(s)
Local file(s)
Year
Paper In Conference Proceedings
Mater. Res. Soc. Symp. Proc. Vol. 1216 © 2010 Materials Research Society. 1216-W08-29. Is in proceedings of: 2009 Materials Research Society Fall Meeting (MRS), Boston, MA, 30th November - 4 December, 2009.
doi:10.1557/PROC-1216-W08-29
2010
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