Heterostructured VF4@Ti3C2 catalyst improving reversible hydrogen storage properties of Mg(BH4)2

Zhang, Zhi; Gao, Dongqiang; Zheng, Jiaguang; Xia, Ao; Zhang, Qingbo; Wang, Li; Zhang, Liuting

doi:10.1016/j.cej.2023.141690

Cited by 26 publications

(1 citation statement)

References 50 publications

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“…Overall, at the beginning of the adsorption, Gibbs free energy change increases almost linearly with increasing the number of adsorbed H 2 . At this stage, two adsorptions occur: i) the initial non-dissociative chemisorption stage of H 2 around metal lithium atom with a distance of ≈2.3 Å between the Li and H 2 molecules (Figure 2c, 1-4), and ii) the weaker physisorption stage of H 2 away from Li atom with the average distance of ≈3.2 Å between the H 2 (Figure 2c, [5][6][7][8][9][10][11].…”

Section: H 2 Storage Mechanism At Atomic Levelmentioning

confidence: 99%

Solid‐State Hydrogen Storage Origin and Design Principles of Carbon‐Based Light Metal Single‐Atom Materials

Gao,

Li,

Wang

et al. 2024

Adv Funct Materials

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Solid‐state storage of hydrogen molecules in carbon‐based light metal single‐atom materials is promising to achieve both high hydrogen storage capacity and uptake rate, but there is a lack of fundamental understanding and design principles to guide the rational design of the materials. Here, a theoretical relationship is established between the hydrogen capacity/rate and the structures of the heteroatom‐doped‐graphene‐supported light metal Li single atom materials for high‐efficient solid‐state hydrogen storage, which is verified by combining spectroscopic characterization, H2 adsorption/desorption measurements, and density functional theory (DFT) calculations. Based on the DFT calculations, a novel descriptor Φ is developed to correlate the inherent properties of dopants with the hydrogen storage properties, and further to screen out the best dual‐doped‐graphene‐supported light metal Li single‐atom hydrogen storage materials. The dual‐doped materials have a much higher hydrogen storage capability than the sole‐doped ones and exceed the best carbon‐based hydrogen storage materials so far.

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Section: H 2 Storage Mechanism At Atomic Levelmentioning

confidence: 99%

Solid‐State Hydrogen Storage Origin and Design Principles of Carbon‐Based Light Metal Single‐Atom Materials

Gao,

Li,

Wang

et al. 2024

Adv Funct Materials

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Inducing One‐Step Dehydrogenation of Magnesium Borohydride via Confinement in Robust Dodecahedral Nitrogen‐Doped Porous Carbon Scaffold

Jia,

Han,

Wang

et al. 2024

Advanced Materials

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A dodecahedral activated N‐doped porous carbon scaffold is synthesized and used for the nanoconfinement of Mg(BH4)2. The optimized mesoporous scaffold possesses an accumulated pore width of 2.65 nm, high specific surface area (3955.9 m2 g−1), and large pore volume (2.15 cm3 g−1), providing ample space for the confinement of Mg(BH4)2 particles and numerous surface active sites for interactions with the same. The confined Mg(BH4)2 system features a dehydrogenation onset temperature of 81.5 °C, an extremely high capacity of 10.2 wt% H2, and an almost single‐step dehydrogenation profile. Moreover, the system exhibits superior capacity retention of 82.7% after 20 cycles at a moderate temperature of 250 °C. Precise activation control enables a transformation from microporous carbon materials to mesoporous ones, and hence the efficient nanoconfinement of Mg(BH4)2 and realization of one‐step dehydrogenation. The evolution of borohydride intermediates is systematically revealed throughout the cycling process. Density functional theory calculations demonstrate defective N heteroatoms within the scaffold are vital in reducing the strength of B─H bonds, and the N‐doped carbon can facilitate decomposition of the irreversible MgB12H12 intermediate. This study opens up new avenues for designing robust carbon scaffolds doped with heteroatoms and analyzing intermediate evolution in nanoconfined Mg‐based borohydride systems.

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Advancing Catalysts by Nanoconfinement and Catalysis for Enhanced Hydrogen Production from Magnesium Borohydride: A Review

Wahab,

Urooj,

Sohail

et al. 2024

Chemistry An Asian Journal

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Hydrogen storage in solid‐state materials represents a highly promising avenue for advancing hydrogen storage technologies, driven by their potential for high efficiency, reduced risk, and cost‐effectiveness. Among these materials, magnesium borohydride (Mg(BH4)2), hereafter denoted as MBH, stands out for its exceptional characteristics, boasting a gravimetric capacity of 14.9 wt% and a volumetric hydrogen density capacity of 146 kg/m3. However, the practical application of MBH is impeded by challenges such as high desorption temperatures (≥ 270°C), sluggish kinetics, poor reversibility, and the formation of unexpected byproducts like diborane. To meet these, extensive research efforts have been directed towards enhancing the hydrogen storage properties of MBH. This review provides a comprehensive survey of recent advancements in MBH research, with a particular focus on experimental findings related to nanoconfined MBH and modified thermodynamic processes aimed at enabling hydrogen release at lower temperatures by mitigating sluggish kinetics. Specifically, nanostructuring techniques, catalyst‐mediated nanoconfinement methodologies, and alloy/compositional modifications will be elucidated, highlighting their potential to enhance hydrogen storage properties and overcome existing limitations. Furthermore, this review discusses the challenges encountered in the utilization of MBH for hydrogen storage applications and offers insights into the future prospects of this material.

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Heterostructured VF4@Ti3C2 catalyst improving reversible hydrogen storage properties of Mg(BH4)2

Cited by 26 publications

References 50 publications

Solid‐State Hydrogen Storage Origin and Design Principles of Carbon‐Based Light Metal Single‐Atom Materials

Solid‐State Hydrogen Storage Origin and Design Principles of Carbon‐Based Light Metal Single‐Atom Materials

Inducing One‐Step Dehydrogenation of Magnesium Borohydride via Confinement in Robust Dodecahedral Nitrogen‐Doped Porous Carbon Scaffold

Advancing Catalysts by Nanoconfinement and Catalysis for Enhanced Hydrogen Production from Magnesium Borohydride: A Review

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