Hydrogen sorption in orthorhombic Mg hydride at ultra-low temperature

Ham, B.; Junkaew, Anchalee; Arróyave, Raymundo; Chen, J.; Wang, H.; Wang, P.; Majewski, Jarosław; Park, Jihye; Zhou, Hong‐Cai; Arvapally, Ravi K.; Kaipa, Ushasree; Omary, Mohammad A.; Zhang, X.Y.; Ren, Yang; Zhang, X.

doi:10.1016/j.ijhydene.2013.04.098

Cited by 38 publications

(31 citation statements)

References 67 publications

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“…With regard to the nanoscaling, various catalysts for improving the hydrogen storage properties of MgH 2 have been investigated, such as transition metals/metal oxides/halogenides (Ma et al, 2009(Ma et al, , 2013Cui et al, 2014;Rizo-Acosta et al, 2018;Zhang et al, 2018;Liu et al, 2019b), rare earth metal oxides/halogenides (Singh et al, 2013;Lin et al, 2014Lin et al, , 2015Wang et al, 2015), carbon materials (Lukashev et al, 2006;Liu et al, 2013;Rather et al, 2016), and other hydrides (Lu et al, 2010;Terent'ev et al, 2015;Jangir et al, 2018). In addition, some noble metals, such as Pd, have been reported to be effective for facilitating hydrogenation of MgH 2 (Du et al, 2007;Callini et al, 2010;Ham et al, 2013;Chung et al, 2015;Liu et al, 2019a). Liu et al (2019a) reported that elemental Pd played a dominant role in accelerating the preferential diffusion of hydrogen atoms at the Pd/Mg interface, during the hydrogenation process.…”

Section: Introductionmentioning

confidence: 99%

Magnesium Nanoparticles With Pd Decoration for Hydrogen Storage

et al. 2020

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In this work, Magnesium nanoparticles with Pd decoration, ranging from 40 to 70 nm, were successfully coprecipitated from tetrahydrofuran (THF) solution, assigned as the Mg-Pd nanocomposite. The Mg-Pd nanocomposite exhibits superior hydrogen storage properties. For the hydrogenated Mg-Pd nanocomposite at 150 • C, the onset dehydrogenation temperature is significantly reduced to 216.8 • C, with a lower apparent activation energy for dehydrogenation of 93.8 kJ/mol H 2 . High-content γ-MgH 2 formed during the hydrogenation process, along with PH 0.706 , contributes to the enhancing of desorption kinetics. The Mg-Pd nanocomposite can take up 3.0 wt% hydrogen in 2 h at a temperature as low as 50 • C. During lower hydrogenation temperatures, Pd can dissociate hydrogen and create a hydrogen diffusion pathway for the Mg nanoparticles, leading to the decrease of the hydrogenation apparent activation energy (44.3 kJ/mol H 2 ). In addition, the Mg-Pd alloy formed during the hydrogenation/dehydrogenation process can play an active role in the reversible metal hydride transformation, destabilizing the MgH 2 .

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Section: Introductionmentioning

confidence: 99%

Magnesium Nanoparticles With Pd Decoration for Hydrogen Storage

et al. 2020

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“…These results [10] may constitute the first instance of experimental evidence showing that it is possible to stabilize pure bcc Mg under ambient temperature/pressure conditions. The present authors have also demonstrated that Mg/Nb multilayers with a thickness of a few nanometers have a much higher mechanical strength compared to bulk Mg [10] and much better hydrogenation performance compared to bulk Mg. [11] As an example, a high resolution transmission electron microscopy (HRTEM) image of the interface in Mg/Nb 5 nm multilayer in Figure 1(a) shows an occurrence of bcc Mg in the region close to the interface along with Nb. The bcc Mg grows epitaxially on top of Nb, as confirmed by the fast Fourier transform (FFT) of the high resolution image in Figure 1(b).…”

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confidence: 99%

Stabilization of bcc Mg in Thin Films at Ambient Pressure: Experimental Evidence andab initioCalculations

Junkaew

Ham

Zhang

et al. 2013

Materials Research Letters

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Recent experiments suggest that bcc Mg can be stabilized when grown together with bcc Nb in Mg/Nb multilayer films at ambient conditions. This finding is remarkable as (pure) bcc Mg has only been observed under very high pressures and is in fact (mechanically) unstable under room conditions. Density functional theory calculations were performed to gain insight into the stability of Mg in the bcc structure. Calculations of the thermodynamic, electronic and structural stability of bcc Mg show that this structure is in fact metastable under thin film conditions, when Mg grows epitaxially on bcc Nb, in agreement with experiments.

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“…More recently, the present authors [19,20] have shown that the stress associated with the epitaxial constraints in Mg/Nb http://dx.doi.org/10.1016/j.commatsci.2015.07.003 0927-0256/Ó 2015 Elsevier B.V. All rights reserved. multi-layered thin films dramatically decrease the hydrogenation temperature MgH 2 to $373 K. Detailed analysis of the structures of the hydrogenated films in combination with electronic structure calculations rationalized the dramatic de-stabilization of the magnesium hydride as a result of the formation of a metastable (orthorhombic) allotrope of MgH 2 , which is significantly less thermodynamically stable than the normal form of MgH 2 .…”

Section: Introductionmentioning

confidence: 81%

Investigation of interfaces in Mg/Nb multilayer thin films

Junkaew

Ham

Zhang

et al. 2015

Computational Materials Science

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a b s t r a c tA density function theory (DFT) approach was used for understanding the stable and metastable interfacial structures observed experimentally in Mg/Nb multilayer films. Different types of interfaces, including the hcp Mg(0 0 0 1)/bcc Nb(1 1 0), the bcc Mg(1 1 0)/bcc Nb (1 1 0), and the hcp Mg(0 0 0 1)/hcp Nb(0 0 0 1), were investigated. The calculated interfacial energies help rationalize the stabilization of metastable interfaces involving bcc Mg-like arrangements in the experimentally characterized Mg/Nb multilayers. Electronic charge properties of the interfacial slabs are compared to corresponding bulk structures. The metallic bonding present in the thin film models has been explained by electron localized function and density of state analysis.

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Hydrogen sorption in orthorhombic Mg hydride at ultra-low temperature

Cited by 38 publications

References 67 publications

Magnesium Nanoparticles With Pd Decoration for Hydrogen Storage

Magnesium Nanoparticles With Pd Decoration for Hydrogen Storage

Stabilization of bcc Mg in Thin Films at Ambient Pressure: Experimental Evidence andab initioCalculations

Investigation of interfaces in Mg/Nb multilayer thin films

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