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

Hadjixenophontos, Efi; Dematteis, Erika Michela; Berti, Nicola; Wolczyk, Anna Roza; Huen, Priscilla; Brighi, Matteo; Le, Thi-Thu; Santoru, Antonio; Payandeh, Seyedhosein; Peru, Filippo; Dao, Anh Ha; Liu, Yinzhe; Heere, Michael

doi:10.3390/inorganics8030017

Cited by 47 publications

(41 citation statements)

References 422 publications

(632 reference statements)

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“…In the last few decades, considerable efforts have been devoted to the investigation of metal hydrides [ 9 , 14 , 15 , 16 , 17 , 18 , 19 , 20 , 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 ] as fuels in energetic materials. Among the various metal hydrides, MgH 2 has the advantages of high hydrogen capacity (7.6wt.%.…”

Section: Introductionmentioning

confidence: 99%

Investigation on Adsorption and Decomposition Properties of CL-20/FOX-7 Molecules on MgH2(110) Surface by First-Principles

Zhang

Zhao²,

Xu³

et al. 2020

Molecules

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Metal hydrides are regarded as promising hydrogen-supplying fuel for energetic materials while CL-20 (Hexanitrohexaazaisowurtzitane) and FOX-7 (1,1-Diamino-2,2-dinitroethylene) are typical principal components commonly used in energetic materials. Hence, it is interesting to explore the interactions between them for development of new energetic systems. In this paper, the adsorption and decomposition of CL-20 or FOX-7 molecules on the MgH2 (110) crystal surface were investigated by employing the First-Principles. In total, 18 adsorption configurations for CL-20/MgH2 (110) and 12 adsorption configurations for FOX-7/MgH2 (110) were considered. The geometric parameters for the configurations, adsorption energies, charge transfer, density of states, and decomposition mechanism were obtained and analyzed. In most of the configurations, chemical adsorption will occur. Moreover, the orientation of the nitro-group in CL-20 or FOX-7 with regard to the MgH2 (110) surface plays an important role on whether and how the energetic molecule decomposes. The adsorption and decomposition of CL-20 or FOX-7 on MgH2 could be attributed to the strong charge transfer between Mg atoms in the first layer of MgH2 (110) surface and oxygen as well as nitrogen atoms in the nitro-group of CL-20 or FOX-7 molecules.

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Section: Introductionmentioning

confidence: 99%

Investigation on Adsorption and Decomposition Properties of CL-20/FOX-7 Molecules on MgH2(110) Surface by First-Principles

Zhang

Zhao²,

Xu³

et al. 2020

Molecules

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“…In 2017, Mohtadi and Orimo stated that the present research on complex metal hydrides is experiencing a "renaissance as energy materials" 7 . Nevertheless, for the success of future complex metal hydride-based research, the development of highly conductive electrolytes and electrodes is one of the main requirements for a successor of the Li-ion battery 8 . A first Mg-ion electrolyte based on complex metal hydrides was reported in 2012.…”

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confidence: 99%

Dynamics of porous and amorphous magnesium borohydride to understand solid state Mg-ion-conductors

Heere

Hansen

Payandeh

et al. 2020

Sci Rep

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Rechargeable solid-state magnesium batteries are considered for high energy density storage and usage in mobile applications as well as to store energy from intermittent energy sources, triggering intense research for suitable electrode and electrolyte materials. Recently, magnesium borohydride, Mg(BH 4) 2 , was found to be an effective precursor for solid-state Mg-ion conductors. During the mechanochemical synthesis of these Mg-ion conductors, amorphous Mg(BH 4) 2 is typically formed and it was postulated that this amorphous phase promotes the conductivity. Here, electrochemical impedance spectroscopy of as-received γ-Mg(BH 4) 2 and ball milled, amorphous Mg(BH 4) 2 confirmed that the conductivity of the latter is ~2 orders of magnitude higher than in as-received γ-Mg(BH 4) 2 at 353 K. Pair distribution function (PDF) analysis of the local structure shows striking similarities up to a length scale of 5.1 Å, suggesting similar conduction pathways in both the crystalline and amorphous sample. Up to 12.27 Å the PDF indicates that a 3D net of interpenetrating channels might still be present in the amorphous phase although less ordered compared to the as-received γ-phase. However, quasi elastic neutron scattering experiments (QenS) were used to study the rotational mobility of the [BH 4 ] units, revealing a much larger fraction of activated [BH 4 ] rotations in amorphous Mg(BH 4) 2. These findings suggest that the conduction process in amorphous Mg(BH 4) 2 is supported by stronger rotational mobility, which is proposed to be the so-called "paddle-wheel" mechanism. Energy storage is one of the grand challenges for present and future generations. In recent years, intermittent renewable energy production has increased worldwide resulting in a high demand for energy storage systems. "Beyond Li-batteries", which are all-solid-state batteries with alternative working ions, including Na and Mg, are considered a promising alternative as they are cheaper and with respect to their natural abundancy more sustainable. However, the transport properties of larger Na + or double-charged Mg 2+ are challenging and directly correlated to the underlying crystal structure and dynamics. Understanding the accompanying structural and dynamic changes as well as finding high-performance cathode materials remain bottlenecks for the improvement of Mg-ion batteries 1. Mg-ion batteries (MIBs) have several advantages compared to Li-ion technology 2. For instance, the low electrochemical potential of −2.4 V (vs. standard hydrogen electrode (SHE)) is close to the one of Li with −3.0 V of Li/Li + , which allows for high cell voltages. Furthermore, Mg metal has a higher volumetric capacity of 3833 mA•cm −3 compared to 2036 mAh•cm −3 of Li metal, and magnesium has a higher natural abundancy of

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“…Since the desorption is endothermic, an intelligent thermal control system is necessary. Research and development activities are still going on to improve the kinetics and stability of materials, as well as reducing the metal hydrides' costs [28,29].…”

Section: Introductionmentioning

confidence: 99%

On the Development of Thermochemical Hydrogen Storage: An Experimental Study of the Kinetics of the Redox Reactions under Different Operating Conditions

2021

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This work aims at investigating the reduction/oxidation (redox) reaction kinetics on iron oxide pellets under different operating conditions of thermochemical hydrogen storage. In order to reduce the iron oxide pellets (90% Fe2O3, 10% stabilizing cement), hydrogen (H2) is applied in different concentrations with nitrogen (N2), as a carrier gas, at temperatures between between 700∘C and 900∘C, thus simulating the charging phase. The discharge phase is triggered by the flow of a mixture out of steam (H2O) and N2 at different concentrations in the same temperature range, resulting in the oxidizing of the previously reduced pellets. All investigations were carried out in a thermo-gravimetric analyzer (TGA) with a flow rate of 250mL/min. To describe the obtained kinetic results, a simplified analytical model, based on the linear driving force model, was developed. The investigated iron oxide pellets showed a stable redox performance of 23.8% weight reduction/gain, which corresponds to a volumetric storage density of 2.8kWh/(Lbulk), also after the 29 performed redox cycles. Recalling that there is no H2 stored during the storage phase but iron, the introduced hydrogen storage technology is deemed very promising for applications in urban areas as day-night or seasonal storage for green hydrogen.

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

Cited by 47 publications

References 422 publications

Investigation on Adsorption and Decomposition Properties of CL-20/FOX-7 Molecules on MgH2(110) Surface by First-Principles

Investigation on Adsorption and Decomposition Properties of CL-20/FOX-7 Molecules on MgH2(110) Surface by First-Principles

Dynamics of porous and amorphous magnesium borohydride to understand solid state Mg-ion-conductors

On the Development of Thermochemical Hydrogen Storage: An Experimental Study of the Kinetics of the Redox Reactions under Different Operating Conditions

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