Enhancing the dehydriding properties of perovskite-type NaMgH3 by introducing potassium as dopant

Song, Tao; Wang, Zhong Min; Wan, Zhenzhen; Deng, Jianqiu; Zhou, Huaiying; Yao, Qingrong

doi:10.1016/j.ijhydene.2016.07.174

Cited by 31 publications

(16 citation statements)

References 32 publications

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“…Several techniques have been used for the synthesis of the ternary NaMgH 3 hydride. For instance, the reaction of the hydrides under high pressures 1 , cryo-milling and high-pressure H 2 sintering 13,16,20 , mechanochemical synthesis under H 2 8 , and Ar atmospheres 17 .Mechanochemical approaches are advantageous in comparison to other methods, because they reduce the grain size, hence accelerating the H 2 desorption kinetics of the hydrides 9,10,22 .…”

Section: Introductionmentioning

confidence: 99%

Hydrogen sorption properties of Li x Na 1−x MgH 3 (x = 0, 0.2, 0.5 & 0.8)

Vasquez

Liu

Paterakis

et al. 2017

International Journal of Hydrogen Energy

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The synthesis, thermodynamic destabilisation and hydrogen absorption/desorption characteristics of the Li x Na 1-x MgH 3 system with (x=0, 0.2, 0.5 and 0.8 molar ratios) have been investigated. Samples were mechanically milled under argon for 5 hours; then characterised by X-ray diffraction (XRD), differential scanning calorimetry (DSC), and thermogravimetric analysis (TGA). Diffraction peaks of NaMgH 3 phase shifted to higher angles and lattice parameters decreased due to the Li addition into the system. 2 and 3 endothermic reactions were observed for the Li x substituted samples (x=0, 0.2, 0.5, 0.8). Li 0.8 Na 0.2 MgH 3 hydride showed the best performance among the other quaternary hydrides (synthesised in this work) releasing 5.2 wt.% of H 2 at 314 °C. Rehydrogenation of the decomposed Li x Na 1-x MgH 3 (x=0, 0.2, 0.5 & 0.8) samples was experimentally confirmed under 10 bar H 2 at ~250 °C.

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Section: Introductionmentioning

confidence: 99%

Hydrogen sorption properties of Li x Na 1−x MgH 3 (x = 0, 0.2, 0.5 & 0.8)

Vasquez

Liu

Paterakis

et al. 2017

International Journal of Hydrogen Energy

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“…They further verified via first‐principles calculations that the dual effects of the incorporation of Ni solid‐solution into the MgH 2 lattice and interfacial catalysis between G‐supported Ni catalysts and the MgH 2 matrix would account for most of the remarkable enhancement in dehydrogenation properties. Tao et al studied the effect of introducing K as a dopant on the dehydrogenation properties of NaMgH 3 . They reported that the replacement of Na by 10 at.% of K to form a Na 0.9 K 0.1 MgH 3 hydride destabilized the metal hydride phase, with its higher formation enthalpy leading to a dramatic decrease in the onset desorption temperature from 581 to 430 K. Li et al studied the hydrogen storage thermodynamics of a Ti 1 – x Sc x MnCr Laves phase alloy substituted with low contents of Sc .…”

Section: Design Strategies For Improving the Reaction Thermodynamics mentioning

confidence: 99%

“…Tao et al studied the effect of introducing K as a dopant on the dehydrogenation properties of NaMgH 3 . 76 They reported that the replacement of Na by 10 at.% of K to form a Na 0.9 K 0.1 MgH 3 hydride destabilized the metal hydride phase, with its higher formation enthalpy leading to a dramatic decrease in the onset desorption temperature from 581 to 430 K. Li et al studied the hydrogen storage thermodynamics of a Ti 1x Sc x MnCr Laves phase alloy substituted with low contents of Sc. 77 Furthermore, many other studies confirmed the positive impact of various metal-based additives, such as Ti 3 C 2 , 78 TiF 3 , 79,80 Co 2 NiO, 81 CeF 3 , 82 calcium halides, 83 and ferrites, 84 on enhancing the dehydrogenation thermodynamics of metal hydrides.…”

Section: Introduction Of Appropriate Dopantsmentioning

confidence: 99%

A review on design strategies for metal hydrides with enhanced reaction thermodynamics for hydrogen storage applications

Kim

2017

Int J Energy Res

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Summary Hydrogen is an alternative clean energy carrier that can replace current fossil fuels for vehicular applications. Thus, it is important to develop a method that would enable a high density of hydrogen to be stored safely under the operating conditions of polymer electrolyte membrane fuel cells. Even though metal hydrides are regarded as promising candidates that can safely store a high density of hydrogen, their stable nature makes it difficult for them to release hydrogen at mild temperatures in the range of 50 to 150°C. In this review, 3 primary strategies, namely, introduction of appropriate dopants, particle size control, and design of novel reactant mixtures based on high‐throughput screening methods, are briefly described with the aim of evaluating the potential of metal hydrides for hydrogen storage applications. The review suggests that successful development of promising hydrogen storage systems will depend on collaborative introduction of these 3 primary design strategies through the combined utilization of experimental and computational techniques to overcome the major challenges associated with the reaction thermodynamics of metal hydrides.

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“…The results showed that partial H was replaced with F in catalyst, which directly reduced the hydride formation enthalpy and the reaction enthalpy, improved thermodynamic properties, facilitates dehydrogenation of hydrides. Practice was proved the functional effect of halide anions in hydrogen absorption and desorption properties within the scope of density-functional theory [10] .…”

Section: Details Of the Computationmentioning

confidence: 99%

“…The present calculations were performed using the planewave pseudopotential method [10] based on density functional theory [11] . First-principles calculations were performed the generalized gradient approximation (GGA) to density functional theory (DFT).…”

Section: Details Of the Computationmentioning

confidence: 99%

First-Principles Investigation of NaMgH3 Hydrogenating Properties Affected by Catalyst

Xue-Lian¹,

Luan²,

Zhou³

et al. 2016

Proceedings of 2016 International Conference on Modeling, Simulation and Optimization Technologies and Applications (MSOTA2016)

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Abstract-We reported density functional studies of the structure and thermodynamics of NaMgH 3 in the cubic perovskite structure as well as corresponding fluorides. Analyses of the calculation results in terms of formation enthalpies, substitution enthalpies, reaction enthalpies showed that partial H were replaced with halogen in catalyst which improved thermodynamic properties, facilitate dehydrogenation of hydrides. The obtained calculation results suggested that halidedoped in NaMgH 3 may result in a favorable thermodynamics modification, and accordingly result in a favorable modification for onboard hydrogen storage application.

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Enhancing the dehydriding properties of perovskite-type NaMgH3 by introducing potassium as dopant

Cited by 31 publications

References 32 publications

Hydrogen sorption properties of Li x Na 1−x MgH 3 (x = 0, 0.2, 0.5 & 0.8)

Hydrogen sorption properties of Li x Na 1−x MgH 3 (x = 0, 0.2, 0.5 & 0.8)

A review on design strategies for metal hydrides with enhanced reaction thermodynamics for hydrogen storage applications

First-Principles Investigation of NaMgH3 Hydrogenating Properties Affected by Catalyst

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