Theoretical study on the effects of the magnesium hydride doping with cobalt and nickel on the hydrogen release

Al-Matrouk, H.; Chihaia, Viorel

doi:10.1016/j.ijhydene.2015.01.112

Cited by 17 publications

(9 citation statements)

References 26 publications

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“…The binary composites Mg–V and Mg–Co comprised the MgH 2 core and V 2 H shell or Mg 2 CoH 5 shell, respectively. In comparison, the ternary composite Mg–Co–V consisted of a shell layer containing Mg 2 CoH 5 /Mg 3 CoH 5 /V 2 H. Both Co and V are known to possess good catalytic effects in facilitating H 2 dissociation at the MgH 2 particle surface and hydrogen penetration into Mg, [ 26,206 ] so it is no surprise that the binary and ternary composites have enhanced sorption kinetics compared with pure Mg.…”

Section: Catalyzed Solid‐state Hydrogen Storesmentioning

confidence: 99%

“…Ternary composite phases, including Mg 2 Co/Mg 2 CoH 5 , have also been claimed to act as a “hydrogen pump” and nucleation sites, [ 182,206e,207 ] facilitating the hydriding/dehydriding of Mg/MgH 2 . [ 208 ] For example, in the preparation of the Mg + 3.9 mass% Ni 2 Al 3 composites, Xie et al observed the in situ formation of Mg 2 NiH 0.3 and Al phases, which were also believed to facilitate the transfer of hydrogen atoms to the Mg core by acting as “hydrogen pumps” and additional nucleation sites.…”

Section: Catalyzed Solid‐state Hydrogen Storesmentioning

confidence: 99%

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Catalysis in Solid Hydrogen Storage: Recent Advances, Challenges, and Perspectives

et al. 2022

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Catalysis is at the core of previous energy transition. It has enabled the use of oil and natural gas as our primary energy sources in unprecedented ways and led to feedstocks enabling exceptionally high living standards in human history. In a decarbonized economy with hydrogen as the new energy vector, catalysis is already playing a key role in producing hydrogen. However, catalysts for the effective storage of hydrogen must be advanced. Many solid hydrogen storage materials such as magnesium‐based hydrides, alanates, and/or borohydrides display promising hydrogen densities far superior to the current state of compressed or liquid hydrogen. These solid materials have thermodynamic and kinetic barriers which severely hinder their practical hydrogen uptake and release. To date, most of these barriers for solid hydrides (especially boron or nitrogen compounds) are modified via catalysis; however, the catalytic species per se and their roles are obscure. Herein, a comprehensive overview of various catalysts for solid hydrogen storage materials, their catalytic roles, and the underpinning mechanisms is provided. The current state of knowledge is critically reviewed and gaps where further research intensification is needed to support rapid hydrogen generation and storage in solid materials for the emerging hydrogen economy are identified.

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Section: Catalyzed Solid‐state Hydrogen Storesmentioning

confidence: 99%

Section: Catalyzed Solid‐state Hydrogen Storesmentioning

confidence: 99%

Catalysis in Solid Hydrogen Storage: Recent Advances, Challenges, and Perspectives

et al. 2022

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“…Alloying with transition metals (TM) and changing of the composition as well as nanostructuration are a few of the methods reported to improve the properties of hydrides [141][142][143][144]. The use of palladium (Pd) as a catalyst in the MgH 2 formation has been shown to be essential [145][146][147][148][149].…”

Section: Pure Metal Hydrides (Mg Pd Ti)mentioning

confidence: 99%

“…Replacement of Pd on top of Mg films is a bit more challenging since many elements are miscible with Mg, but due to the high cost of Pd, alternatives are of high interest. Researchers have demonstrated that it is possible to improve the performance of Mg and its hydride by adding transition metals [140] such as Iron (Fe) [167], Chromium (Cr) [168], Nickel (Ni) [144,169], Titanium (Ti) [143,[170][171][172], Niobium (Nb) [173] and many others. Further investigations have been completed on merging the benefits of carbon materials for tuning MgH 2 hydrogen properties [174].…”

Section: Pure Metal Hydrides (Mg Pd Ti)mentioning

confidence: 99%

A Review of the MSCA ITN ECOSTORE—Novel Complex Metal Hydrides for Efficient and Compact Storage of Renewable Energy as Hydrogen and Electricity

et al. 2020

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Hydrogen as an energy carrier is very versatile in energy storage applications. Developments in novel, sustainable technologies towards a CO2-free society are needed and the exploration of all-solid-state batteries (ASSBs) as well as solid-state hydrogen storage applications based on metal hydrides can provide solutions for such technologies. However, there are still many technical challenges for both hydrogen storage material and ASSBs related to designing low-cost materials with low-environmental impact. The current materials considered for all-solid-state batteries should have high conductivities for Na+, Mg2+ and Ca2+, while Al3+-based compounds are often marginalised due to the lack of suitable electrode and electrolyte materials. In hydrogen storage materials, the sluggish kinetic behaviour of solid-state hydride materials is one of the key constraints that limit their practical uses. Therefore, it is necessary to overcome the kinetic issues of hydride materials before discussing and considering them on the system level. This review summarizes the achievements of the Marie Skłodowska-Curie Actions (MSCA) innovative training network (ITN) ECOSTORE, the aim of which was the investigation of different aspects of (complex) metal hydride materials. Advances in battery and hydrogen storage materials for the efficient and compact storage of renewable energy production are discussed.

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“…Among these steps, surface desorption is one of the critical processes. Thus far, considerable efforts have been made on the dehydrogenation of hydrogen storage materials such as MgH 2 in order to improve its kinetic properties and obtain a lower desorption temperature [36][37][38][39][40][41]. However, hydrogen desorption from the HEA surface, which is crucial to evaluate its dehydrogenation properties, has not been explored theoretically.…”

Section: Introductionmentioning

confidence: 99%

A First-Principles Study of Hydrogen Desorption from High Entropy Alloy TiZrVMoNb Hydride Surface

Zhang

Xiao

et al. 2021

Metals

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The desorption behaviors of hydrogen from high entropy alloy TiZrVMoNb hydride surface have been investigated using the density functional theory. The (110) surface has been determined to be the most preferable surface for hydrogen desorption from TiZrVMoNb hydride. Due to the high lattice distortion and heterogeneous chemical environment in HEA hydride, hydrogen desorption from the HEA hydride surface is found to be complex. A comparison of molecular and atomic hydrogen desorption reveals that hydrogen prefers to desorb in atomic states from TiZrVMoNb hydride (110) surface rather than molecular states during the hydrogen desorption process. To combine as H2 molecules, the hydrogen atoms need to overcome attractive interaction from TiZrVMoNb hydride (110) surface. These results suggest that the hydrogen desorption on TiZrVMoNb hydride (110) surface is a chemical process. The presented results provide fundamental insights into the underlying mechanism for hydrogen desorption from HEA hydride surface and may open up more possibilities for designing HEAs with excellent hydrogen desorption ability.

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Theoretical study on the effects of the magnesium hydride doping with cobalt and nickel on the hydrogen release

Cited by 17 publications

References 26 publications

Catalysis in Solid Hydrogen Storage: Recent Advances, Challenges, and Perspectives

Catalysis in Solid Hydrogen Storage: Recent Advances, Challenges, and Perspectives

A Review of the MSCA ITN ECOSTORE—Novel Complex Metal Hydrides for Efficient and Compact Storage of Renewable Energy as Hydrogen and Electricity

A First-Principles Study of Hydrogen Desorption from High Entropy Alloy TiZrVMoNb Hydride Surface

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