Reactivity of LiBH4: In situ synchrotron radiation powder X-ray diffraction study
(2008) In Journal of Physical Chemistry C 112(4). p.1299-1303- Abstract
- Lithium tetrahydridoboranate (LiBH4) may be a potentially interesting material for hydrogen storage, but in order to absorb and desorb hydrogen routinely and reversibly, the kinetics and thermodynamics need to be improved significantly. A priori, this material has one of the highest theoretical gravimetric hydrogen contents, 18.5 wt%, but unfortunately for practical applications, hydrogen release occurs at too high temperature in a non-reversible way. By means of in situ synchrotron radiation powder X-ray diffraction (SR-PXD), the interaction between LiBH4 and different additives-SiO2, TiCl3, LiCl, and Au - is investigated. It is found that silicon dioxide reacts with molten LiBH4 and forms Li2SiO3 or Li4SiO4 at relatively low amounts of... (More)
- Lithium tetrahydridoboranate (LiBH4) may be a potentially interesting material for hydrogen storage, but in order to absorb and desorb hydrogen routinely and reversibly, the kinetics and thermodynamics need to be improved significantly. A priori, this material has one of the highest theoretical gravimetric hydrogen contents, 18.5 wt%, but unfortunately for practical applications, hydrogen release occurs at too high temperature in a non-reversible way. By means of in situ synchrotron radiation powder X-ray diffraction (SR-PXD), the interaction between LiBH4 and different additives-SiO2, TiCl3, LiCl, and Au - is investigated. It is found that silicon dioxide reacts with molten LiBH4 and forms Li2SiO3 or Li4SiO4 at relatively low amounts of SiO2, e.g., with 5.0 and 9.9 mol % SiO2 in LiBH4, Whereas, for higher amounts of SiO2 (e.g., 25.5 mol %), only the Li2SiO3 phase is observed. Furthermore, we demonstrate that a solid-state reaction occurs between LiBH4 and TiCl3 to form LiCl at room temperature. At elevated temperatures, more LiCl is formed simultaneously with a decrease in the diffracted intensity from TiCl3. Lithium chloride shows some solubility in solid LiBH4 at T > 100 degrees C. This is the first report of substituents that accommodate the structure of LiBH4 by a solid/solid dissolution reaction. Gold is found to react with molten LiBH4 forming a Li-Au alloy with CuAu3-type structure. These studies demonstrate that molten LiBH4 has a high reactivity, and finding a catalyst for this H-rich system may be a challenge. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/1199058
- author
- Mosegaard, Lene ; Moller, Bitten ; Jorgensen, Jens-Erik ; Filinchuk, Yaroslav ; Cerenius, Yngve LU ; Hanson, Jonathan C ; Dimasi, Elaine ; Besenbacher, Flemming and Jensen, Torben R
- organization
- publishing date
- 2008
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Journal of Physical Chemistry C
- volume
- 112
- issue
- 4
- pages
- 1299 - 1303
- publisher
- The American Chemical Society (ACS)
- external identifiers
-
- wos:000252619100056
- scopus:39349099339
- ISSN
- 1932-7447
- DOI
- 10.1021/jp076999v
- language
- English
- LU publication?
- yes
- id
- 59ab1a20-0010-470d-bf04-548e827cf3d7 (old id 1199058)
- date added to LUP
- 2016-04-01 11:37:53
- date last changed
- 2022-03-05 04:08:29
@article{59ab1a20-0010-470d-bf04-548e827cf3d7,
abstract = {{Lithium tetrahydridoboranate (LiBH4) may be a potentially interesting material for hydrogen storage, but in order to absorb and desorb hydrogen routinely and reversibly, the kinetics and thermodynamics need to be improved significantly. A priori, this material has one of the highest theoretical gravimetric hydrogen contents, 18.5 wt%, but unfortunately for practical applications, hydrogen release occurs at too high temperature in a non-reversible way. By means of in situ synchrotron radiation powder X-ray diffraction (SR-PXD), the interaction between LiBH4 and different additives-SiO2, TiCl3, LiCl, and Au - is investigated. It is found that silicon dioxide reacts with molten LiBH4 and forms Li2SiO3 or Li4SiO4 at relatively low amounts of SiO2, e.g., with 5.0 and 9.9 mol % SiO2 in LiBH4, Whereas, for higher amounts of SiO2 (e.g., 25.5 mol %), only the Li2SiO3 phase is observed. Furthermore, we demonstrate that a solid-state reaction occurs between LiBH4 and TiCl3 to form LiCl at room temperature. At elevated temperatures, more LiCl is formed simultaneously with a decrease in the diffracted intensity from TiCl3. Lithium chloride shows some solubility in solid LiBH4 at T > 100 degrees C. This is the first report of substituents that accommodate the structure of LiBH4 by a solid/solid dissolution reaction. Gold is found to react with molten LiBH4 forming a Li-Au alloy with CuAu3-type structure. These studies demonstrate that molten LiBH4 has a high reactivity, and finding a catalyst for this H-rich system may be a challenge.}},
author = {{Mosegaard, Lene and Moller, Bitten and Jorgensen, Jens-Erik and Filinchuk, Yaroslav and Cerenius, Yngve and Hanson, Jonathan C and Dimasi, Elaine and Besenbacher, Flemming and Jensen, Torben R}},
issn = {{1932-7447}},
language = {{eng}},
number = {{4}},
pages = {{1299--1303}},
publisher = {{The American Chemical Society (ACS)}},
series = {{Journal of Physical Chemistry C}},
title = {{Reactivity of LiBH4: In situ synchrotron radiation powder X-ray diffraction study}},
url = {{http://dx.doi.org/10.1021/jp076999v}},
doi = {{10.1021/jp076999v}},
volume = {{112}},
year = {{2008}},
}