Theoretical and Experimental Study of LiBH4-LiCl Solid Solution
نویسندگان
چکیده
Anion substitution is at present one of the pathways to destabilize metal borohydrides for solid state hydrogen storage. In this work, a solid solution of LiBH4 and LiCl is studied by density functional theory (DFT) calculations, thermodynamic modeling, X-ray diffraction, and infrared spectroscopy. It is shown that Cl substitution has minor effects on thermodynamic stability of either the orthorhombic or the hexagonal phase of LiBH4. The transformation into the orthorhombic phase in LiBH4 shortly after annealing with LiCl is for the first time followed by infrared measurements. Our findings are in a good agreement with an experimental study of the LiBH4-LiCl solid solution structure and dynamics. This demonstrates the validity of the adopted combined theoretical (DFT calculations) and experimental (vibrational spectroscopy) approach, to investigate the solid solution formation of complex hydrides.
منابع مشابه
Destabilized LiBH4/MgH2 for reversible hydrogen storage
DOE and FreedomCAR technical targets of 6.0 and 9.0 wt.% are set forth capacities to realize a “holy grail” for hydrogen storage systems for 2010 and 2015 respectively. Alkali metal complex hydrides with high theoretical hydrogen capacity, for example: LiBH4 (18 wt.%), are being investigated for their properties to store large quantities of hydrogen. The catalytic doping of SiO2, seems to enhan...
متن کاملInterface-enhanced Li ion conduction in a LiBH4-SiO2 solid electrolyte.
We have developed a fast solid state Li ion conductor composed of LiBH4 and SiO2 by means of interface engineering. A composite of LiBH4-SiO2 was simply synthesized by high energy ball-milling, and two types of SiO2 (MCM-41 and fumed silica) having different specific surface areas were used to evaluate the effect of the LiBH4/SiO2 interface on the ionic conductivity enhancement. The ionic condu...
متن کاملExperimental and Theoretical Study for Hydrogen Biogas Production from Municipal Solid Waste
This study carried out to investigate the production of hydrogen using the organic fraction of municipal solid waste OFMSW, where the anaerobic digester was depended as a method for disposing and treating OFMSW and producing bio-hydrogen. Bio-hydrogen production had been studied under different parameters including pH, solid content T.S%, temperature and mixing ratios between the thick sludge t...
متن کاملExperimental and Theoretical Study for Hydrogen Biogas Production from Municipal Solid Waste
This study carried out to investigate the production of hydrogen using the organic fraction of municipal solid waste OFMSW, where the anaerobic digester was depended as a method for disposing and treating OFMSW and producing bio-hydrogen. Bio-hydrogen production had been studied under different parameters including pH, solid content T.S%, temperature and mixing ratios between the thick sludge t...
متن کاملConfinement Effects for Lithium Borohydride: Comparing Silica and Carbon Scaffolds
LiBH4 is a promising material for hydrogen storage and as a solid-state electrolyte for Li ion batteries. Confining LiBH4 in porous scaffolds improves its hydrogen desorption kinetics, reversibility, and Li+ conductivity, but little is known about the influence of the chemical nature of the scaffold. Here, quasielastic neutron scattering and calorimetric measurements were used to study support ...
متن کامل