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Discovery of new boron-rich chalcogenides: orthorhombic B6X (X=S, Se)
(Scientific Reports, 2020)
New boron-rich sulfde B6S and selenide B6Se have been discovered by combination of high pressure
– high temperature synthesis and ab initio evolutionary crystal structure prediction, and studied by
synchrotron X-ray ...
Interpretation of the Cu K-edge EXAFS spectra of Cu3N using ab initio molecular dynamics
(Elsevier Ltd, 2020)
Cubic copper nitride (Cu3N) has anti-perovskite structure, and its properties are strongly affected by anisotropic thermal vibrations of copper atoms. Ab initio molecular dynamics (AIMD) simulations were performed in the ...
Influence of Nb-doping on the local structure and thermoelectric properties of transparent TiO2:Nb thin films
(Elsevier Ltd, 2020)
Transparent n-type niobium-doped titanium dioxide thin films (TiO2:1.5 at.%Nb) with pronounced thermoelectric properties were produced from a composite Ti:Nb target by reactive magnetron sputtering. The thin films were ...
Treatment of disorder effects in X-ray absorption spectra beyond the conventional approach
(Elsevier Ltd., 2020)
The contribution of static and thermal disorder is one of the largest challenges for the accurate determination of the atomic structure from the extended X-ray absorption fine structure (EXAFS). Although there are a number ...
Understanding of conversion process of magnetron deposited thin films of amorphous ReOx to crystalline ReO3 upon thermal annealing
(ACS Publications, 2020)
Thin films of rhenium trioxide (ReO3) were produced by reactive DC magnetron sputtering from metallic rhenium target followed by annealing in the air in the range of temperatures from 200C to 350C. Nanocrystalline ...
Synthesis and characterization of GaN/ReS2, ZnS/ReS2 and ZnO/ReS2 core/shell nanowire heterostructures
(Elsevier B.V., 2021)
Layered 2D van der Waals (vdW) materials such as graphene and transition metal dichalcogenides have recently gained a great deal of scientific attention due to their unique properties and prospective applications in various ...
X-ray absorption and Raman spectroscopy studies of tungstates solid solutions ZncNi1-cWO4 (c=0.0-1.0)
(AIP Publishing, 2020)
The influence of thermal disorder and static distortions on the local structure in microcrystalline solid solutions of tungstates ZncNi1-cWO4 with c = 0.0–1.0 was investigated using temperature-dependent (10–300 K) x-ray ...
Study of the thermochromic phase transition in CuMo1−xWxO4 solid solutions at the W L3-edge by resonant X-ray emission spectroscopy
(Elsevier Ltd., 2021)
Polycrystalline CuMo1−xWxO4 solid solutions were studied by resonant X-ray emission spectroscopy (RXES) at the W L3-edge to follow a variation of the tungsten local atomic and electronic structures across thermochromic ...
The role of Ga and Bi doping on the local structure of transparent zinc oxide thin films
(Elsevier, 2021-07-25)
Transparent undoped ZnO and additionally doped with Ga and Bi thin films were produced by magnetron sputtering. The thin films were comprehensively characterized by X-ray absorption, X-ray diffraction (XRD), X-ray photoelectron ...
Evidence of nickel ions dimerization in NiWO4 and NiWO4 – ZnWO4 solid solutions probed by EXAFS spectroscopy and reverse Monte Carlo simulation
(Elsevier, 2021)
The existence of exchange-coupled Ni ions – the so-called magnetic dimers – in wolframite-type NiWO and ZnNiWO solid solutions with high nickel content was discovered by X-ray absorption spectroscopy combined with reverse ...