Complex beryllium amidoboranes: Structures, stability, and evaluation of their potential as hydrogen storage materials

Davydova, E. I.; Lisovenko, Anna S.; Timoshkin, Alexey Y.

doi:10.1002/jcc.24681

Cited by 6 publications

(3 citation statements)

References 27 publications

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“…With alkaline earth metal cations, the positive charge +2 is counterbalanced by two anions [NH 2 BH 3 ] − . Because of the acute toxicity of beryllium, beryllium amidoborane Be(NH 2 BH 3 ) 2 was investigated virtually, by computational calculations [318]. This is unfortunate, as beryllium amidoborane would have a theoretical gravimetric hydrogen density of 14.7 wt% H 2 .…”

Section: The Critical Issue Of Regenerationmentioning

confidence: 99%

Ammonia Borane: An Extensively Studied, Though Not Yet Implemented, Hydrogen Carrier

Demirci

2020

Energies

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Ammonia borane H3N−BH3 (AB) was re-discovered, in the 2000s, to play an important role in the developing hydrogen economy, but it has seemingly failed; at best it has lagged behind. The present review aims at analyzing, in the context of more than 300 articles, the reasons why AB gives a sense that it has failed as an anodic fuel, a liquid-state hydrogen carrier and a solid hydrogen carrier. The key issues AB faces and the key challenges ahead it has to address (i.e., those hindering its technological deployment) have been identified and itemized. The reality is that preventable errors have been made. First, some critical issues have been underestimated and thereby understudied, whereas others have been disproportionally considered. Second, the potential of AB has been overestimated, and there has been an undoubted lack of realistic and practical vision of it. Third, the competition in the field is severe, with more promising and cheaper hydrides in front of AB. Fourth, AB has been confined to lab benches, and consequently its technological readiness level has remained low. This is discussed in detail herein.

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Section: The Critical Issue Of Regenerationmentioning

confidence: 99%

Ammonia Borane: An Extensively Studied, Though Not Yet Implemented, Hydrogen Carrier

Demirci

2020

Energies

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“…Regarding alkaline earth-based amidoboranes, some reports have been published. Computational studies have predicted the crystalline structure and dehydrogenation properties of beryllium-based amidoboranes [263]. However, as a highly toxic element, the use of Be was discarded.…”

Section: Monometallic Amidoboranesmentioning

confidence: 99%

Destabilization of Boron-Based Compounds for Hydrogen Storage in the Solid-State: Recent Advances

et al. 2021

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Boron-based materials have been widely studied for hydrogen storage applications. Examples of these compounds are borohydrides and boranes. However, all of these present some disadvantages that have hindered their potential application as hydrogen storage materials in the solid-state. Thus, different strategies have been developed to improve the dehydrogenation properties of these materials. The purpose of this review is to provide an overview of recent advances (for the period 2015–2021) in the destabilization strategies that have been considered for selected boron-based compounds. With this aim, we selected seven of the most investigated boron-based compounds for hydrogen storage applications: lithium borohydride, sodium borohydride, magnesium borohydride, calcium borohydride, ammonia borane, hydrazine borane and hydrazine bisborane. The destabilization strategies include the use of additives, the chemical modification and the nanosizing of these compounds. These approaches were analyzed for each one of the selected boron-based compounds and these are discussed in the present review.

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“…In recent years, many scientists interested into design and synthesis of new materials with mentioned capabilities for hydrogen storage [1][2][3][4][5]. Nanomaterials have been investigated as promising adsorbents for this.…”

Section: Introductionmentioning

confidence: 99%

Adsorption and decomposition of water molecules on Al and/or Ga-doped Graphene at ambient temperature: density functional theory

Afshari

2023

Preprint

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To use H2 gas as a common fuel it needs to be in high pressures or cryogenic temperatures to have reasonable density. But, if we have adsorbent materials with high volumetric capacities to store hydrogen at ambient temperature and low pressure without any compressing it is worthwhile to use hydrogen as clean and reversible fuel. Here, we want to report the adsorption and decomposition properties of aluminum and gallium-doped graphene at ambient temperature. We studied the adsorption of H2O molecule on pure and doped graphene via density functional theory. So, possible interactions between the H2O molecule from three sides and pure and aluminum and gallium-doped were examined. After adsorption, decomposition of the H2O molecule has been studied and so on, for receive a reaction pathway, possible intermediates and transition states has been studied. To continue the density of states, interaction energies and thermodynamic parameters have been calculated. The results showed that the adsorbed water on aluminum and/or gallium-doped graphene decompose to OH and H and then adsorb on the surface again at ambient temperature and this process was thermodynamically favorable.

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Complex beryllium amidoboranes: Structures, stability, and evaluation of their potential as hydrogen storage materials

Cited by 6 publications

References 27 publications

Ammonia Borane: An Extensively Studied, Though Not Yet Implemented, Hydrogen Carrier

Ammonia Borane: An Extensively Studied, Though Not Yet Implemented, Hydrogen Carrier

Destabilization of Boron-Based Compounds for Hydrogen Storage in the Solid-State: Recent Advances

Adsorption and decomposition of water molecules on Al and/or Ga-doped Graphene at ambient temperature: density functional theory

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