Interstitial Site Occupancy of Hydrogen Atoms in Laves Phases and Structurally Related Compounds

1986 ◽  
Vol 90 (8) ◽  
pp. 708-711
Author(s):  
J. Hauck
Keyword(s):  
Site Occupancy ◽  
Interstitial Site ◽  
Hydrogen Atoms ◽  
Laves Phases ◽  
Related Compounds

ErFe2–H2 system I. The interstitial-site occupancy by hydrogen atoms and model predictions

1999 ◽  
Vol 79 (8) ◽  
pp. 1185-1194 ◽  
Author(s):  
P. Raj ◽  
K. Shashikala ◽  
A. Sathyamoorthy ◽  
V. Siruguri ◽  
S. K. Paranjpe
Keyword(s):  
Site Occupancy ◽  
Interstitial Site ◽  
Hydrogen Atoms ◽  
Model Predictions

MÖSSBAUER STUDY OF HYDROGEN DIFFUSION AND INTERSTITIAL SITE OCCUPANCY IN57Co : PdHxAND57Fe : PdHx

1979 ◽  
Vol 40 (C2) ◽  
pp. C2-635-C2-638
Author(s):  
F. Pröbst ◽  
F. E. Wagner ◽  
M. Karger ◽  
G. Wortmann
Keyword(s):  
Hydrogen Diffusion ◽  
Site Occupancy ◽  
Interstitial Site ◽  
Mössbauer Study

Magnetic Volume Effect of Hydrogen Diffusion in Palladium

2020 ◽  
Vol 310 ◽  
pp. 29-33
Author(s):  
Sarantuya Nasantogtokh ◽  
Xin Cui ◽  
Zhi Ping Wang
Keyword(s):  
Transition Metal ◽  
Density Of States ◽  
Density Functional ◽  
Hydrogen Diffusion ◽  
Magnetic Moments ◽  
Interstitial Site ◽  
Volume Effect ◽  
Face Centered Cubic ◽  
Hydrogen Atoms ◽  
Octahedral Interstitial Site

The electronic and magnetic properties of palladium hydrogen are investigated using first-principles spin-polarized density functional theory. By studying the magnetic moments and electronic structures of hydrogen atoms diffusing in face-centered cubic structure of transition metal Pd, we found that the results of magnetic moments are exactly the same in the two direct octahedral interstitial site-octahedral interstitial site diffusion paths-i.e. the magnetic moments are the largest in the octahedral interstitial site, and the magnetic moments are the lowest in saddle point positions. We also studied on the density of states of some special points, with the result that the density of states near the Fermi level is mainly contributed by 4d electrons of Pd and the change of magnetic moments with the cell volume in the unit cell of transition metal Pd with a hydrogen atom.

Discovery of an Environmentally Friendly Water-Soluble Luminous Material with Interstitial Site Occupancy

2021 ◽  
Vol 9 (7) ◽  
pp. 2717-2726
Author(s):  
Jinyu Wang ◽  
Tianchun Lang ◽  
Shuangqiang Fang ◽  
Tao Han ◽  
Mingsheng Cai ◽  
...  
Keyword(s):  
Site Occupancy ◽  
Environmentally Friendly ◽  
Interstitial Site ◽  
Water Soluble

An analogy of interstitial site occupancy and hydrogen induced disproportionation of Zr 1−x Ti x Co ternary alloys

2017 ◽  
Vol 42 (12) ◽  
pp. 8089-8097 ◽  
Author(s):  
Ram Avtar Jat ◽  
Ripandeep Singh ◽  
Subhasis Pati ◽  
P.U. Sastry ◽  
A. Das ◽  
...  
Keyword(s):  
Site Occupancy ◽  
Interstitial Site ◽  
Ternary Alloys

Ternary transition metal gallides with TiNiSi, ZrBeSi and MgZn2-type structure

2019 ◽  
Vol 74 (3) ◽  
pp. 297-306 ◽  
Author(s):  
Lukas Heletta ◽  
Theresa Block ◽  
Steffen Klenner ◽  
Rainer Pöttgen
Keyword(s):  
Transition Metal ◽  
Powder Diffraction ◽  
Metallic Iron ◽  
Site Occupancy ◽  
Laves Phase ◽  
Structural Motif ◽  
Equiatomic Composition ◽  
Laves Phases ◽  
X Ray ◽  
Arc Melting

AbstractA series of ternary transition metal gallides around the equiatomic composition have been synthesized from the elements by arc-melting and subsequent annealing. The compounds crystallize with site occupancy variants of the hexagonal Laves phase MgZn2, with the hexagonal ZrBeSi or the orthorhombic TiNiSi type. All samples have been characterized on the basis of their lattice parameters, determined by X-ray powder diffraction (Guinier technique). The structures of NbCr1.58Ga0.42 and NbFe1.51Ga0.49 (MgZn2 type, P63/mmc), NbRhGa (ZrBeSi type, P63/mmc), and ScNiGa, ScPtGa and ScAuGa (TiNiSi type, Pnma) were refined from single crystal X-ray diffractometer data. The ScPtGa and ScAuGa crystals showed trilling formation. Mixed site occupancies were only observed in the Laves phases while all other crystals were well ordered. A striking structural motif of NbRhGa is the formation of niobium chains (264 pm Nb–Nb) along the c axis. Several gallides were magnetically characterized. They are Pauli paramagnets. The two crystallographically independent iron sites in the Laves phase TaFeGa could be distinguished in the 57Fe Mössbauer spectrum. The isomer shifts of 0.06(3) (Fe1) and –0.02(3) (Fe2) mm s−1 indicate metallic iron.

Hydrogen site occupancy in AB2 Laves phases

1986 ◽  
Vol 115 (1) ◽  
pp. 23-33 ◽  
Author(s):  
Douglas Ivey ◽  
Derek Northwood
Keyword(s):  
Site Occupancy ◽  
Laves Phases

Mass Spectrometry of N-Benzoyl-2-hydroxyalkylamines. Role of the Hydroxylic Hydrogen in the Fragmentation Pattern

1975 ◽  
Vol 53 (21) ◽  
pp. 3175-3187 ◽  
Author(s):  
Don C. DeJongh ◽  
Denis C. K. Lin ◽  
Pierre LeClair-Lanteigne ◽  
Denis Gravel
Keyword(s):  
Mass Spectrometry ◽  
Mass Spectra ◽  
Hydroxyl Group ◽  
Fragmentation Pattern ◽  
Relative Importance ◽  
Hydrogen Atoms ◽  
Related Compounds ◽  
Double Hydrogen ◽  
Hydrogen Rearrangement

An interesting rearrangement has been observed in the mass spectra of a series of N-benzoyl-2-hydroxyalkylamines. The hydrogen atom of the hydroxyl group is transferred to the N-benzoyl portion of the molecular ion and the bond between positions 1 and 2 in the N-alkyl group is cleaved. A rearrangement ion, observed at m/e 135, is formed along with a neutral aldehyde or ketone. When the hydroxylic hydrogen is replaced by a trimethylsilyl substituent, the latter group is transferred with comparable efficiency. Differences in the relative importance of this rearrangement in the mass spectra of a series of related compounds with decreasing substitution at position 2, have been explained by differences in the stabilities of the neutral molecules formed along with m/e 135 and by the occurrence of a double hydrogen rearrangement which competes if hydrogen atoms are present in a relationship gamma and delta to the carbonyl group.

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