Electronic structure of nanocrystalline and polycrystalline hydrogen storage materials

Smardz, L.; Jurczyk, M.; Smardz, K.; Nowak, Marek; Makowiecka, M.; Okońska, I.

doi:10.1016/j.renene.2007.05.006

Cited by 28 publications

(20 citation statements)

References 27 publications

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“…By mechanically alloying with the catalytic element like Pd or Ni, the thermodynamic properties, activation process and the hydriding/dehydriding kinetic of TiFe systems have been substantially modified [24][25][26], similar to the behavior observed in the Mg 2 Ni-based compounds [27][28][29][30]. For the AB 2 -based systems, substitution of both A-type and B-type elements leads to the great improvements in the activation process, hydrogen storage capacity, thermodynamic properties and charging/discharging kinetics [31][32][33][34][35][36].…”

Section: Introductionmentioning

confidence: 71%

Substitution effects on the hydrogen storage behavior of AB2 alloys by first principles

Zhao

Sun

2011

Front. Phys.

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The hydrogen storage behavior of the TiCr 2 and ZrCr 2 alloys substituted with the third components (Zr, V, Fe, Ni) have been studied using first-principles calculations. The change of the hydrogen absorption energies caused by metal doping is arising from the charge transfer among the doped alloys interior. Zr and V atoms devoted abundant electrons, leading to a great enhancement of the H absorption energy, while Fe and Ni atoms always accepted electrons, yielding a remarkable decrease of the H absorption energy. The hydrogen diffusion energy barrier is closely correlated with the geometry effect rather than the electronic structure.

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Section: Introductionmentioning

confidence: 71%

Substitution effects on the hydrogen storage behavior of AB2 alloys by first principles

Zhao

Sun

2011

Front. Phys.

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“…Details of the XPS measurements can be found in Ref. [18][19][20]. The morphology and roughness of the MLs were studied ex-situ by atomic force microscopy (AFM).…”

Section: Methodsmentioning

confidence: 99%

Interlayer Exchange Coupling in Nb/Fe Multilayers

et al. 2018

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The (110) oriented Nb-Fe multilayers (MLs) with constant Fe and variable Nb sublayer thicknesses were prepared at room temperature using UHV magnetron sputtering. The artificial periodicity was revealed by intense satellite peaks in the low-and high-angle X-ray diffraction patterns. Magnetic hysteresis loop measurements at 5 K revealed antiferromagnetic (AF) exchange coupling of the Fe sublayers for Nb spacer thickness of about 3 monolayers. The corresponding AF coupling energy is equal to about -1.36 mJ/m 2 . The Nb spacer thickness corresponding to the position of the AF peak is in good agreement with ab-initio calculations within localized spin density approximations of exchange-correlation potential.

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“…The chemical composition and the cleanness of all layers were checked in situ, immediately after deposition, transferring the samples to an UHV (4 × 10 −11 mbar) analysis chamber equipped with XPS, Auger electron spectroscopy (AES) and ion gun etching system [23][24][25][26][27]. The XPS spectra were measured at room temperature using a SPECS EA 10 PLUS energy spectrometer with Al K α and Mg K α radiation of 1486.6 eV and 1253.6 eV, respectively.…”

Section: Introductionmentioning

confidence: 99%

Natural Oxidation of thin Fe Films on V Buffer Layer

et al. 2017

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We have studied oxidation kinetics of Fe thin film under atmospheric conditions using the fact that metallic iron is a ferromagnet but ultrathin natural iron oxides are approximately nonmagnetic at room temperature. As a consequence, oxidation is associated with a loss in total Fe magnetic moment. Results show that the sample with an initial Fe thickness equal to 10 nm oxidize relatively fast (time constant τ = 0.05 day), whereby a constant amount of 2.5 nm of metal is transformed into oxides. For lower iron initial thickness (di = 4 nm) the time constant for oxidation significantly increases reaching a value of 2 days. Furthermore, X-ray photoelectron spectroscopy studies performed after 144 days of oxidation revealed formation of hematite (α-Fe2O3) thin film on the metallic rest of iron.

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Electronic structure of nanocrystalline and polycrystalline hydrogen storage materials

Cited by 28 publications

References 27 publications

Substitution effects on the hydrogen storage behavior of AB2 alloys by first principles

Substitution effects on the hydrogen storage behavior of AB2 alloys by first principles

Interlayer Exchange Coupling in Nb/Fe Multilayers

Natural Oxidation of thin Fe Films on V Buffer Layer

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