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DFT study of frontier orbitals and NLO properties of a phenanthroline and nitrophenol complex. [PDF]

open access: yesSci Rep
Hadigheh Rezvan V   +3 more
europepmc   +1 more source
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The niobium oxoazides [NbO(N3)3], [NbO(N3)3·2CH3CN], [(bipy)NbO(N3)3], Cs2[NbO(N3)5] and [PPh4]2[NbO(N3)5].

Dalton transactions (Cambridge, England : 2003), 2018
Niobium oxotriazide, [NbO(N3)3], was prepared in a fluoride-azide exchange reaction between [NbOF3] and an excess of Me3SiN3 in SO2 solution. In acetonitrile solution, the fluoride-azide exchange resulted in the isolation of the adduct [NbO(N3)3·2CH3CN].
Ralf, Haiges   +3 more
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Electrical resistivity of NbO

Journal of Solid State Chemistry, 1970
The resistivity of NbOx (0.99 ⩽ x ⩽ 1.03) boules containing 3 to 5 grains is reported for the range 77–900°K. The material is an excellent conductor with a positive temperature coefficient of resistivity. The results are compared with some earlier work, which seems to require correction, and with unpublished work which is confirmed by this study.
G.V. Chandrashekhar, J. Moyo, J.M. Honig
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Vacancy filling effect in thermoelectric NbO

Journal of Physics: Condensed Matter, 2015
Using density functional theory, we have systematically explored the 1a and 1b vacancy filling in NbO (space group Pm-3m) with Nb and N, respectively, to design compounds with large Seebeck coefficients. The most dominating effect was identified for filling of 1b Wyckoff sites with N giving rise to a fivefold increase in the Seebeck coefficient.
Denis, Music   +4 more
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Multilayer Mg/NbO thin film nanostructures

Solid State Communications, 2021
Abstract Multilayer (Mg/NbOx)82 nanostructures with different thickness of Mg layers and the constant thickness of NbOx layers have been prepared. The samples were obtained by ion-beam sputtering of metal and ceramic target and multiple consecutive depositions of NbOx and Mg layers onto substrates.
O.V. Stognei   +3 more
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Fermi surface of NbO

Journal of Low Temperature Physics, 1990
Studies of the dHvA effect have been made on NbO single crystals grown by a zone melting techniques and 13 separate frequency branches ranging from 5.2×106 G to 1.2×108G have been observed. To understand the origin of the dHvA frequencies, we have made a self-consistent band structure calculation.
H. Aoki   +5 more
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Sintered NbO Powders for Electronic Device Applications

The Journal of Physical Chemistry C, 2011
Wide band gap niobium oxides are particularly important for electronic device applications. Two types of NbO powders were sintered between 300 and 1100 °C. The structural characterization of the pellets, performed by X-ray diffraction measurements and Raman spectroscopy, revealed the appearance of the NbO and T-, B-, and H-Nb2O5 polymorphs, depending ...
Nico, C.   +8 more
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Properties of (Na, K)NbO 3 and (Li, Na, K)NbO 3 Ceramic Mixed Systems

Ferroelectrics, 2003
In this paper, samples of (Na x K 1 m x )NbO 3 where x = 0.1 m 1 and Li y (Na 0.5 K 0.5 ) 1 m y NbO 3 where y = 0.01 m 0.05 have been prepared by conventional ceramic technique. The prepared Sodium Potassium Niobate (Na x K 1 m x NbO 3 ) and Lithium Sodium Potassium Niobate (Li y (Na 0.5 K 0.5 ) 1 m y NbO 3 ) samples are characterized using X-ray ...
Sheng-Yuan Chu   +3 more
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