Time and Frequency Resolved Hydrogen Dynamics in deuterated LiBH4 View Full Text


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Article Info

DATE

2009

AUTHORS

Robin Gremaud, Esben R. Andresen, Anibal J. Ramirez-Cuesta, Keith Refson, Zbigniew Łodziana, Andreas Züttel, Peter Hamm, Andreas Borgschulte

ABSTRACT

We study deuterated tetrahydroborate LiBH 4 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 BH 4-n D n (n = 0…4) molecular units. We report on anharmonicity and vibrational lifetime (1.6 ps) of the BD vibrations, as well as on the BH 2 D 2 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. More... »

PAGES

1216-w08-29

Identifiers

URI

http://scigraph.springernature.com/pub.10.1557/proc-1216-w08-29

DOI

http://dx.doi.org/10.1557/proc-1216-w08-29

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1067909623


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