How to Design Hydrogen Storage Materials? Fundamentals, Synthesis, and Storage Tanks

Lai, Qiwen; Sun, Yahui; Wang, Ting; Modi, Poojan; Cazorla, Claudio; Demirci, Umit B.; Ares, J.R.; Leardini, Fabrice; Aguey‐Zinsou, Kondo‐François

doi:10.1002/adsu.201900043

Cited by 123 publications

(80 citation statements)

References 806 publications

(387 reference statements)

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“…Sodium borohydride (NaBH 4 ) has attracted significant interest as a potential hydrogen storage material, owing to its high hydrogen gravimetric capacity (10.8 mass%) [1,2]. However, the practical application of NaBH 4 is difficult to achieve, because of its stability both in terms of hydrogen kinetics and thermodynamics.…”

Section: Introductionmentioning

confidence: 99%

“…NaBH 4 is a strong reducing agent, and thus, many of the common reagents used for the synthesis and stabilization of conventional nanoparticles are out of scope. In addition, the solvents that can be used to synthesize NaBH 4 nanoparticles are rather limited owing to the lack of solubility and/or reactivity of NaBH 4 [2,3]. Oftentimes, solubilizing solvents form adduct compounds with NaBH 4 , and this brings additional complexity in terms of synthesizing solvent free nanoparticles [10].…”

Section: Introductionmentioning

confidence: 99%

“…A major drawback of current synthetic approaches is that they all rely on a source of NaBH 4 as the starting material to lead to the formation of nanoparticles, and this is an expensive approach given the current cost of NaBH 4 (95 USD$ kg −1 ) [2]. In this respect, the development of direct approaches for making NaBH 4 nanoparticles from common precursors is more desirable.…”

Section: Introductionmentioning

confidence: 99%

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Direct Synthesis of NaBH4 Nanoparticles from NaOCH3 for Hydrogen Storage

Wang

Aguey‐Zinsou

2019

Energies

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Hydrogen is regarded as a promising energy carrier to substitute fossil fuels. However, storing hydrogen with high density remains a challenge. NaBH 4 is a potential hydrogen storage material due to its high gravimetric hydrogen density (10.8 mass%), but the hydrogen kinetic and thermodynamic properties of NaBH 4 are poor against the application needs. Nanosizing is an effective strategy to improve the hydrogen properties of NaBH 4 . In this context, we report on the direct synthesis of NaBH 4 nanoparticles (~6-260 nm) from the NaOCH 3 precursor. The hydrogen desorption properties of such nanoparticles are reported as well as experimental conditions that lead to the synthesis of (Na 2 B 12 H 12 ) free NaBH 4 nanoparticles.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Direct Synthesis of NaBH4 Nanoparticles from NaOCH3 for Hydrogen Storage

Wang

Aguey‐Zinsou

2019

Energies

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“…For instance, at T = 700 K the simulated α T /C P ratio turns out to be three times smaller than the corresponding experimental value [14]. Therefore, in spite of the inevitable shortcomings deriving from the use of classical potentials for simulating materials [43,44], we are confident that the ∆T results reported in this work are reliable.…”

Section: A Barocaloric Effectsmentioning

confidence: 50%

Large barocaloric effects in thermoelectric superionic materials

Min

Sagotra

Cazorla

2020

Phys. Rev. Materials

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We predict the existence of large barocaloric effects above room temperature in the thermoelectric fast-ion conductor Cu2Se by using classical molecular dynamics simulations and first-principles computational methods. A hydrostatic pressure of 1 GPa induces large isothermal entropy changes of |∆S| ∼ 15-45 J kg −1 K −1 and adiabatic temperature shifts of |∆T | ∼ 10 K in the temperature interval 400 ≤ T ≤ 700 K. Structural phase transitions are absent in the analysed thermodynamic range. The causes of such large barocaloric effects are significant P -induced variations on the ionic conductivity of Cu2Se and the inherently high anharmonicity of the material. Uniaxial stresses of the same magnitude, either compressive or tensile, produce comparatively much smaller caloric effects, namely, |∆S| ∼ 1 J kg −1 K −1 and |∆T | ∼ 0.1 K, due to practically null influence on the ionic diffusivity of Cu2Se. Our simulation work shows that thermoelectric compounds presenting high ionic disorder, like copper and silver-based chalcogenides, may render large mechanocaloric effects and thus are promising materials for engineering solid-state cooling applications that do not require the application of electric fields.

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“…Borohydrides are usually kept away from any oxidizing source to avoid any premature liberation of hydrogen and the degradation of their structure 25. However, a controlled exposure of borohydrides to oxygen could segregate cations on their surface to result in varied defective surface compositions.…”

Section: Introductionmentioning

confidence: 99%

Facile Self‐Forming Superionic Conductors Based on Complex Borohydride Surface Oxidation

Luo

Rawal

Cazorla

et al. 2020

Advanced Sustainable Systems

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Complex hydrides have attracted significant attention as better inorganic solid‐state electrolytes owing to their lightweight and good compatibility with metal anodes (Li, Na, and/or Mg) for all solid‐state batteries. However, high ionic conductivity is usually observed at high temperatures upon the stabilization of adequate crystalline phases enabling fast ionic mobility. Here, an extremely simple strategy to significantly increase the ionic conductivity of complex borohydrides is reported. By exposing complex borohydrides to oxygen, the rearrangement of surface atoms upon the oxidation of borohydride particles and the resulting defects lead to extremely high ionic conductivity. NaBH4 and LiBH4 exposed to 5% O2 show an ionic conductivity of ≈10−3 S cm−1 at 35 °C. Similarly, oxidized Mg(BH4)2 displays a conductivity of ≈10−6 S cm−1 at 25 °C instead of 9.63 × 10−13 S cm−1. To the best of the authors' knowledge, this is to date, the simplest approach to tune the properties of borohydrides toward high ionic conductivity at room temperature as it does not rely on the difficult synthesis of large cage boron based anions to substitute BH4− and allow better ionic conduction paths. Owing its simplicity, the finding has the potential to enable new avenues toward the realization of viable complex borohydride based solid‐state electrolytes.

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How to Design Hydrogen Storage Materials? Fundamentals, Synthesis, and Storage Tanks

Abstract: The "art" of material design for hydrogen storage relies on mastering divergent requirements. This review aims to summarise recent strategies to design better hydride materials toward the storage and use of hydrogen as a clean energy carrier.

Cited by 123 publications

References 806 publications

Direct Synthesis of NaBH4 Nanoparticles from NaOCH3 for Hydrogen Storage

Direct Synthesis of NaBH4 Nanoparticles from NaOCH3 for Hydrogen Storage

Large barocaloric effects in thermoelectric superionic materials

Facile Self‐Forming Superionic Conductors Based on Complex Borohydride Surface Oxidation

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