Structure, thermal analysis and dehydriding kinetic properties of Na 1−x Li x MgH 3 hydrides

Wang, Zhong Min; Li, Jia-jun; Song, Tao; Deng, Jianqiu; Zhou, Huaiying; Yao, Qingrong

doi:10.1016/j.jallcom.2015.11.127

Cited by 20 publications

(12 citation statements)

References 29 publications

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“…To illustrate the decomposition mechanism of the NH-CM hydride composites, the XRD patterns of the NaMgH3 + 2.5 G + 2.5 M sample after dehydriding at different temperatures are shown in Figure 7. With the increase in temperature from 593 K to 638 K, peaks of the NaMgH3 phase become weakened, and peaks of the NaH phase and Mg phase become strengthened, such results agree well with our previous work for pristine NaMgH3 hydride reported in [12]. In another word, the decomposition of NaMgH3 is a two-step reaction: NaMgH3 → NaH + Mg + H2 → Na + Mg + 3/2H2.…”

Section: Dehydriding Kinetic Properties Of Namgh 3 Hydride and Nh-cm supporting

confidence: 92%

“…Sheppard et al [9] reported the desorption enthalpy and entropy are 86.6 ± 1.0 kJ/(mol·H 2 ) and 132.2 ± 1.3 kJ/(mol·H 2 ) for the decomposition of NaMgH 3 into NaH and Mg, respectively, indicating that NaMgH 3 is thermodynamically more stable than magnesium hydride (MgH 2 ). One of the most promising approaches to improve its poor dehydrogenation property is incorporating with other metals or complex hydrides (e.g., Na 1 − x Li x MgH 3 [10][11][12], NaMgH 3 -g-C 3 N 4 [13], and NaMgH 3 -MgH 2 [14,15]). …”

Section: Introductionmentioning

confidence: 99%

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The Improvement of Dehydriding the Kinetics of NaMgH3 Hydride via Doping with Carbon Nanomaterials

Wang

Song

et al. 2016

Metals

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NaMgH 3 perovskite hydride and NaMgH 3 -carbon nanomaterials (NH-CM) composites were prepared via the reactive ball-milling method. To investigate the catalytic effect of CM on the dehydriding kinetic properties of NaMgH 3 hydride, multiwall carbon nanotubes (MWCNTs) and graphene oxide (GO) were used as catalytic additives. It was found that dehydriding temperatures and activation energies (∆E 1 and ∆E 2 ) for two dehydrogenation steps of NaMgH 3 hydride can be greatly reduced with a 5 wt. % CM addition. The NH-2.5M-2.5G composite presents better dehydriding kinetics, a lower dehydriding temperature, and a higher hydrogen-desorbed amount (3.64 wt. %, 638 K). ∆E 1 and ∆E 2 can be reduced by about 67 kJ/mol and 30 kJ/mol, respectively. The results suggest that the combination of MWCNTs and GO is a better catalyst as compared to MWCNTs or GO alone.

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Section: Dehydriding Kinetic Properties Of Namgh 3 Hydride and Nh-cm supporting

confidence: 92%

Section: Introductionmentioning

confidence: 99%

The Improvement of Dehydriding the Kinetics of NaMgH3 Hydride via Doping with Carbon Nanomaterials

Wang

Song

et al. 2016

Metals

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“…[ 2–5 ] From this perspective, hydrogen has been considered an inexhaustible, effective, and supportable energy source. [ 3–7 ] Lot of work has been required to deliver a perfect energy structures which are dependent on hydrogen as an option in contrast to products based on carbons. [ 8–9 ] Apart from the electrolysis of water, environment‐friendly materials are the focal point of the innovations of hydrogen generation.…”

Section: Introductionmentioning

confidence: 99%

First‐principle investigation of XSrH₃ (X = K and Rb) perovskite‐type hydrides for hydrogen storage

Raza

Murtaza

Umm-e-Hani

et al. 2020

Int J of Quantum Chemistry

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Hydrogen can be utilized as an energy source; therefore, hydrogen storage has received the most appealing examination interest in recent years. The investigations of hydrogen storage applications center fundamentally around the examination of hydrogen capacity abilities of recently presented compounds. XSrH 3 (X = K and Rb) compounds have been examined by density functional theory (DFT) calculations to uncover their different characteristics, as well as hydrogen capacity properties, for the first time. Studied compounds are optimized in the cubic phase, and optimized lattice constants are obtained as 4.77 and 4.99 Å for KSrH 3 and RbSrH 3 , respectively. These hydrides have shown negative values of formation enthalpies as they are stable thermodynamically. XSrH 3 might be used in hydrogen storage applications because of high gravimetric hydrogen storage densities, which are 2.33 and 1.71 wt% for KSrH 3 and RbSrH 3 , respectively. Moreover, electronic properties confirm the semiconductor nature of these compounds having indirect band gaps of values 1.41 and 1.23 eV for KSrH 3 and RbSrH 3 , respectively. In addition, mechanical properties from elastic constants such as Young modulus and Pugh's ratio, also have been investigated, and these compounds were found to satisfy born stability conditions. Furthermore, Pugh's ratio and Cauchy pressure show that these hydrides have a brittle nature. Furthermore, thermodynamic properties such as entropy and Debye temperature have been examined using the quasiharmonic Debye model for different temperatures and pressures.

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“…In this point of view, hydrogen has gained popularity as abundant, efficient, and sustainable energy source in addition to environmental issues. [3][4][5][6][7] The works have been directed to produce a clean energy form based on hydrogen as an alternative to carbon-based products 8 and research interest has concentrated on transportation and storage methods for commercial applications. 8,9 Apart from elementary water electrolysis, environmentally friendly production processes, that use also renewable energy sources, have been focus of the hydrogen production technologies.…”

Section: Introductionmentioning

confidence: 99%

“…Therefore, clean energy production, storage, and technological applications come into prominence to obtain continuous energy flow. In this point of view, hydrogen has gained popularity as abundant, efficient, and sustainable energy source in addition to environmental issues . The works have been directed to produce a clean energy form based on hydrogen as an alternative to carbon‐based products and research interest has concentrated on transportation and storage methods for commercial applications .…”

Section: Introductionmentioning

confidence: 99%

CaXH ₃ (X = Mn, Fe, Co) perovskite‐type hydrides for hydrogen storage applications

et al. 2019

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Summary Hydrogen storage is one of the attractive research interests in recent years due to the advantages of hydrogen to be used as energy source. The studies on hydrogen storage applications focus mainly on investigation of hydrogen storage capabilities of newly introduced compounds. The present paper aims at characterization of CaXH3 (X: Mn, Fe, or Co) perovskite‐type hydrides for the first time to understand their potential contribution to the hydrogen storage applications. CaXH3 compounds have been investigated by density functional theory studies to reveal their various characteristics and hydrogen storage properties. CaXH3 compounds have been optimized in cubic crystal structure and the lattice constants of studied compounds have been obtained as 3.60, 3.50, and 3.48 Å for X: Mn, Fe, and Co compounds, respectively. The optimized structures have negative formation enthalpies pointing out that studied compounds are thermodynamically stable and could be synthesized experimentally. The gravimetric hydrogen storage densities of X: Mn, Fe, and Co compounds were found in as 3.09, 3.06, and 2.97 wt%, respectively. The revealed values for hydrogen storage densities indicate that CaXH3 compounds may be potential candidates for hydrogen storage applications. Moreover, various mechanical parameters of interest compounds like elastic constants, bulk modulus, and Poisson's ratio have been reported throughout the study. These compounds were found mechanically stable with satisfying Born stability criteria. Further analyses based on Cauchy pressure and Pugh criterion, showed that they have brittleness nature and relatively hard materials. In addition, the electronic characteristics, band structures, and associated partial density of states of CaXH3 hydrides have been revealed. The dynamic stability behavior of them was verified based on the phonon dispersion curves.

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Structure, thermal analysis and dehydriding kinetic properties of Na 1−x Li x MgH 3 hydrides

Cited by 20 publications

References 29 publications

The Improvement of Dehydriding the Kinetics of NaMgH3 Hydride via Doping with Carbon Nanomaterials

The Improvement of Dehydriding the Kinetics of NaMgH3 Hydride via Doping with Carbon Nanomaterials

First‐principle investigation of XSrH₃ (X = K and Rb) perovskite‐type hydrides for hydrogen storage

CaXH ₃ (X = Mn, Fe, Co) perovskite‐type hydrides for hydrogen storage applications

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Structure, thermal analysis and dehydriding kinetic properties of Na 1−x Li x MgH 3 hydrides

Cited by 20 publications

References 29 publications

The Improvement of Dehydriding the Kinetics of NaMgH3 Hydride via Doping with Carbon Nanomaterials

The Improvement of Dehydriding the Kinetics of NaMgH3 Hydride via Doping with Carbon Nanomaterials

First‐principle investigation of XSrH3 (X = K and Rb) perovskite‐type hydrides for hydrogen storage

CaXH 3 (X = Mn, Fe, Co) perovskite‐type hydrides for hydrogen storage applications

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Product

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First‐principle investigation of XSrH₃ (X = K and Rb) perovskite‐type hydrides for hydrogen storage

CaXH ₃ (X = Mn, Fe, Co) perovskite‐type hydrides for hydrogen storage applications