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ReO3 is alpha Rhenium trioxide structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Re6+ is bonded to six equivalent O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Re–O bond lengths are 1.90 Å. O2- is bonded in a linear geometry to two equivalent Re6+ atoms.
ReO3 is alpha Rhenium trioxide structured and crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Re6+ is bonded to six equivalent O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Re–O bond lengths are 1.90 Å. O2- is bonded in a linear geometry to two equivalent Re6+ atoms.
ReO3 is High-temperature superconductor-like structured and crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Re6+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. All Re–O bond lengths are 1.90 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Re6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Re6+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Re6+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two equivalent Re6+ atoms.
ReO3 is High-temperature superconductor-like structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Re6+ is bonded to six equivalent O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Re–O bond lengths are 1.90 Å. O2- is bonded in a linear geometry to two equivalent Re6+ atoms.
ReO3 is Upper Bainite structured and crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Re6+ is bonded to six equivalent O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedral tilt angles are 37°. All Re–O bond lengths are 1.91 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent Re6+ atoms.
ScRe2O6 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with four equivalent ScO6 octahedra, corners with four equivalent ReO6 octahedra, and edges with two equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 45–56°. There are four shorter (2.12 Å) and two longer (2.18 Å) Sc–O bond lengths. Re+4.50+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent ScO6 octahedra, corners with six equivalent ReO6 octahedra, an edgeedge with one ScO6 octahedra, and an edgeedge with one ReO6 octahedra. The corner-sharing octahedra tilt angles range from 36–54°. There are a spread of Re–O bond distances ranging from 1.96–2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Sc3+ and one Re+4.50+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Re+4.50+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sc3+ and two equivalent Re+4.50+ atoms.
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Long-duration storage of hydrogen is necessary for coupling renewable H2 with stationary fuel cell power applications. In this presentation, I will discuss how aluminum formate, Al(HCOO)3 (ALF), which adopts an ReO3-type structure, is shown to have remarkable H2 storage performance at non-cryogenic (> 120 K) temperatures and low pressures. The most promising performance of ALF is found between 120 K and 160 K and at 10 bar to 20 bar. The talk will cover and illustrate the H2 adsorption performance of ALF over the 77 K to 296 K temperature range using gas isotherms, in situ neutron powder diffraction, and DFT calculations, as well as technoeconomic analysis (TEA), illustrating ALF’s competitive performance for long-duration storage versus compressed hydrogen and leading metal–organic frameworks. In the TEA, it is shown that ALF’s storage capacity, when combined with a temperature/pressure swing process, has advantages versus compressed H2 at a fraction of the pressure (15 bar versus 350 bar). Given ALF’s performance in the 10 bar to 20 bar regime under moderate cooling, it is particularly promising for use in safe storage systems serving fuel cells, and is currently the only MOF that works in this moderate temperature range/ low pressure regime to be cost competitive with compressed H2 gas for large scale H2 storage.[1]
Long-duration storage of hydrogen is necessary for coupling renewable H 2 with stationary fuel cell power applications. In this work, aluminum formate (ALF), which adopts the ReO 3 -type structure, is shown to have remarkable H 2 storage performance at non-cryogenic (>120 K) temperatures and low pressures. The most promising performance of ALF is found between 120 K and 160 K and at 10 bar to 20 bar. The study illustrates H 2 adsorption performance of ALF over the 77 K to 296 K temperature range using gas isotherms, in situ neutron powder diffraction, and DFT calculations, as well as technoeconomic analysis (TEA), illustrating ALF’s competitive performance for long-duration storage versus compressed hydrogen and leading metal–organic frameworks. In the TEA, it is shown that ALF’s storage capacity, when combined with a temperature/pressure swing process, has advantages versus compressed H 2 at a fraction of the pressure (15 bar versus 350 bar). In conclusion, given ALF’s performance in the 10 bar to 20 bar regime under moderate cooling, it is particularly promising for use in safe storage systems serving fuel cells.
In recent years, metastable cation-disordered oxides have had a significant impact on both fundamental and application-driven materials science research. Along this direction, developing new and simple structural types that can accommodate cation disorder at the same crystallographic site has yet to receive extensive research focus. In this work, we use niobium tungsten oxides (NbWOs), a series of materials encompassing diverse structural features, as a material platform to explore new cation-disordered structural types. Relying on mechanochemistry, we realized primitive cubic cation-disordered NbWOs with a ReO 3 -type structure, featuring unique electronic and vibrational properties. Furthermore, when applied as a Li-ion battery anode, the materials undergo a unique perovskite-rock salt structural change mechanism, different from that of complex ordered NbWOs. All these advancements suggest a rich opportunity in developing other new material structural types and realizing new material properties based on the methodology of the work.