Synthesis of catalytically active rock salt structured Mg x Nb 1−x O nanoparticles for MgH 2  system

Pukazhselvan, D.; Antunes, I.; Russo, S. Lo; Pérez, J.; Fagg, Duncan P.

doi:10.1016/j.ijhydene.2014.08.138

Cited by 15 publications

(7 citation statements)

References 23 publications

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“…In our previous communication [39] we confirmed the formation of a Nb dissolved MgO rock salt when rigorous mechanochemical reaction (1750 rpm) between MgH 2 and Nb 2 O 5 (1:1 ratio) was performed for 30 h. It was also demonstrated that the presence of Nb dissolved MgO rock salt in MgH 2 system enhances the hydrogen storage properties of MgH 2 . In that study we left forward the systematic analysis of how MgH 2 /Nb 2 O 5 mixture transforms to the rock salt product.…”

Section: Resultssupporting

confidence: 65%

“…As known in the literature, the rock salts such as NbO, Mg dissolved NbO, MgO and Nb dissolved MgO all exhibit nearly identical peak positions due to the very close lattice constants [38,39,44,45]. However, the main XRD observable difference between them is the variation in the relative peak intensity and a small peak shift.…”

Section: Xrd Analysis Of 30 H Mechanochemical Reaction Productsmentioning

confidence: 70%

“…When Nb replaces the Mg sites of MgO the (111) peak intensity increases, also with a slight peak shift towards the low angle side, finally to become the maximum intensity peak for Nb dominant RS. (Refer ref [39] and JCPDF source files: 421125 and 450946). Although this comparison cannot present a very precise evaluation of evolution of new phases, it is sufficient to provide a general picture regarding how the chemical environment within the RS changes with respect to the used mechanochemical reaction processing conditions.…”

Section: Xrd Analysis Of 30 H Mechanochemical Reaction Productsmentioning

confidence: 99%

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Formation of Mg–Nb–O rock salt structures in a series of mechanochemically activated MgH2 + nNb2O5 (n = 0.083–1.50) mixtures

Pukazhselvan

Bdikin

Pérez

et al. 2016

International Journal of Hydrogen Energy

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Section: Resultssupporting

confidence: 65%

Section: Xrd Analysis Of 30 H Mechanochemical Reaction Productsmentioning

confidence: 70%

Section: Xrd Analysis Of 30 H Mechanochemical Reaction Productsmentioning

confidence: 99%

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Formation of Mg–Nb–O rock salt structures in a series of mechanochemically activated MgH2 + nNb2O5 (n = 0.083–1.50) mixtures

Pukazhselvan

Bdikin

Pérez

et al. 2016

International Journal of Hydrogen Energy

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“…We believe that this observation will lead to new developments in the area of catalysis for metal-gas interactions. fore, we have recently investigated the chemical behavior of aN b-rich mixture MgH 2 -Nb 2 O 5 (1:2 at %o fM ga nd Nb) [23] that confirmed the formation of rock salt (RS)-type reaction product(s). Following this, we also investigated as eries of mechanochemically activated x %MgH 2 + y %Nb 2 O 5 composites.…”

Section: Introductionmentioning

confidence: 87%

Formation of Mg_xNb_yO_x+y through the Mechanochemical Reaction of MgH₂ and Nb₂O₅, and Its Effect on the Hydrogen‐Storage Behavior of MgH₂

Pukazhselvan¹,

Pérez²,

Nasani³

et al. 2015

ChemPhysChem

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The present study aims to understand the catalysis of the MgH2 -Nb2 O5 hydrogen storage system. To clarify the chemical interaction between MgH2 and Nb2 O5 , the mechanochemical reaction products of a composite mixture of MgH2 +0.167 Nb2 O5 was monitored at different time intervals (2, 5, 15, 30, and 45 min, as well as 1, 2, 5, 10, 15, 20, 25, and 30 h). The study confirms the formation of catalytically active Nb-doped MgO nanoparticles (typically Mgx Nby Ox+y , with a crystallite size of 4-8 nm) by transforming reactants through an intermediate phase typified by Mgm-x Nb2n-y O5n-(x+y) . The initially formed Mgx Nby Ox+y product is shown to be Nb rich, with the concentration of Mg increasing upon increasing milling time. The nanoscale end-product Mgx Nby Ox+y closely resembles the crystallographic features of MgO, but with at least a 1-4 % higher unit cell volume. Unlike MgO, which is known to passivate the surfaces in MgH2 system, the Nb-dissolved MgO effectively mediates the Mg-H2 sorption reaction in the system. We believe that this observation will lead to new developments in the area of catalysis for metal-gas interactions.

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“…It is known that the existence of oxidized MgO layer (Mg x O x rock salt) at the surface of commercial MgH 2 samples disrupt the diffusion pathways of hydrogen 5,6 . However, when some atoms of the Mg x O x layer are replaced by Nb, the oxide becomes a promoter of H ab/desorption rather than being an inhibitor, whilst retaining the same crystallographic structure 7,8 …”

Section: Introductionmentioning

confidence: 99%

Interaction of magnesium hydride clusters with Nb doped MgO additive studied by density functional calculations

et al. 2016

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A combined study of density functional theory calculations and experiments was made for understanding the role of Nb dissolved magnesium oxide (MgO) surfaces in improving the hydrogen storage performance of magnesium hydride (MgH2). Differential scanning calorimetry (DSC) studies confirm that MgH2 releases hydrogen at comparatively lower temperatures when MgO additive is replaced by Nb dissolved MgO. In order to verify this theoretically, two additive clusters, Mg4O4 and Mg3NbO4 were modeled by density functional theory technique and their interaction with H2 and MgH2 was investigated. The analysis confirms that the most favorable interaction, in terms of minimum energy structures, binding behavior and hydrogenation, can be achieved by the Mg3NbO4 additive. Interaction between Nb dissolved MgO cluster and MgH2 cluster is explained with the support of the highest occupied molecular orbital (HOMO)/lowest unoccupied molecular orbital (LUMO)/singly occupied molecular orbital (SOMO) surfaces and the related aspects of catalysis is discussed.

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Synthesis of catalytically active rock salt structured Mg x Nb 1−x O nanoparticles for MgH 2 system

Cited by 15 publications

References 23 publications

Formation of Mg–Nb–O rock salt structures in a series of mechanochemically activated MgH2 + nNb2O5 (n = 0.083–1.50) mixtures

Formation of Mg–Nb–O rock salt structures in a series of mechanochemically activated MgH2 + nNb2O5 (n = 0.083–1.50) mixtures

Formation of Mg_xNb_yO_x+y through the Mechanochemical Reaction of MgH₂ and Nb₂O₅, and Its Effect on the Hydrogen‐Storage Behavior of MgH₂

Interaction of magnesium hydride clusters with Nb doped MgO additive studied by density functional calculations

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Synthesis of catalytically active rock salt structured Mg x Nb 1−x O nanoparticles for MgH 2 system

Cited by 15 publications

References 23 publications

Formation of Mg–Nb–O rock salt structures in a series of mechanochemically activated MgH2 + nNb2O5 (n = 0.083–1.50) mixtures

Formation of Mg–Nb–O rock salt structures in a series of mechanochemically activated MgH2 + nNb2O5 (n = 0.083–1.50) mixtures

Formation of MgxNbyOx+y through the Mechanochemical Reaction of MgH2 and Nb2O5, and Its Effect on the Hydrogen‐Storage Behavior of MgH2

Interaction of magnesium hydride clusters with Nb doped MgO additive studied by density functional calculations

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Formation of Mg_xNb_yO_x+y through the Mechanochemical Reaction of MgH₂ and Nb₂O₅, and Its Effect on the Hydrogen‐Storage Behavior of MgH₂