Sodium borohydride (NaBH) is an attractive hydrogen carrier owing to its reactivity with water: it can generate 4 equivalents of H by hydrolysis (NaBH + 4HO → NaB(OH) + 4H). Since using NaBH in the solid state is the most favorable way to achieve a high gravimetric hydrogen storage capacity (theoretical maximum of 7.3 wt%), we have investigated the possibility of developing a core@shell nanocomposite (NaBH@Ni) where a metallic nickel catalyst facilitating the hydrolysis is directly supported onto NaBH nanoparticles. Following our initial work on core-shell hydrides, the successful preparation of NaBH@Ni has been confirmed by TEM, EDS, IR, XRD and XPS. During hydrolysis, the intimately combined Ni and NaBH allow the production of H at high rates ( 6.1 L min g at 39 °C) when water is used in excess. After H generation, the spent fuel is composed of an aqueous solution of NaB(OH) and a nickel-based agglomerated material in the form of Ni(OH) as evidenced by TEM, XPS and XRD. The effective gravimetric hydrogen storage capacity of nanosized NaBH@Ni has been optimized by adjusting the required amount of water for hydrolysis and an effective hydrogen capacity of 4.4 wt% has been achieved. This is among the best reported values.
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http://dx.doi.org/10.1039/c9na00037b | DOI Listing |
Materials (Basel)
December 2024
Department of Material Engineering, Ben-Gurion University of the Negev, Beer-Sheva 8410501, Israel.
This manuscript contributes to understanding the role of hydrogen in different materials, emphasizing polymers and composite materials, to increase hydrogen storage capacity in those materials. Hydrogen storage is critical in advancing and optimizing sustainable energy solutions that are essential for improving their performance. Capillary arrays, which offer increased surface area and optimized storage geometries, present a promising avenue for enhancing hydrogen uptake.
View Article and Find Full Text PDFThe potential application of materials referred to as perovskite hydrides in hydrogen storage - a crucial element of renewable energy systems - has sparked a great deal of interest. We use density functional theory (DFT) to investigate the structural, formation energy, hydrogen storage, electronics, thermoelectric and elastic properties of NaXH (X = Be, Mg, Ca, and Sr) hydrides. The band gap is calculated using WC-GGA and WC-GGA+mBJ potentials.
View Article and Find Full Text PDFJ Mol Model
December 2024
Computational Materials Research Lab, Department of Physics, Indian Institute of Technology (Indian School of Mines), Dhanbad, India.
Context: Hydrogen storage in porous nanostructured compounds have recently attracted a lot of attention due to the fact that the underlying adsorption mechanism and thermodynamics provide suitable platform for room temperature adsorption and desorption of H molecules. This work reports the findings of a study on the reversible hydrogen storage capacities of Sc and Y decorated C fullerene, conducted using dispersion-corrected density functional theory (DFT) calculation. The transition metal (TM) atoms, such as Sc and Y, are identified to attach to the C-C bridge position of the C fullerene through non-covalent closed-shell interactions.
View Article and Find Full Text PDFACS Appl Mater Interfaces
December 2024
Institute of Applied Physics and Computational Mathematics, Beijing 100088, PR China.
The primary challenge hindering the widespread adoption of hydrogen energy is its storage, highlighting the need for effective storage media. In this study, we utilize first-principles calculations to systematically evaluate the superalkali cluster OLi decorated on a CN monolayer for its potential as an efficient hydrogen storage material. Our findings reveal that the OLi cluster binds to each side of the CN monolayer through a charge transfer mechanism, exhibiting a binding energy of 12.
View Article and Find Full Text PDFAnal Chem
December 2024
State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029, China.
A novel approach for determining the elemental content of organic matter through thermal gravimetric analysis coupled online with a mass spectrometer (TG-MS) is disclosed. This method not only yields results equivalent to ASTM analysis but also provides insight into the covalent bond structure within the sample. The principle of this technique consists of the combustion of organic matter in an oxygen-enriched environment within the thermogravimetric (TG) system.
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