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Study of High-Temperature Behaviour of ZnO by Ab Initio Molecular Dynamics Simulations and X-ray Absorption Spectroscopy
(MDPI, 2021)
D.B., M.K. and A.K. acknowledge access to Piz Daint at the Swiss National Supercomputing Centre, Switzerland (CSCS) under the project ID sm02. The experiment at the MAX IV synchrotron was performed within the project ...
Chemical-state analyses of Ni, Zn, and W ions in NiWO4–ZnWO4 solid solutions by X-ray photoelectron spectroscopy
(Elsevier, 2022)
The chemical states of Ni, Zn, and W in microcrystalline NiWO4–ZnWO4 solid solutions were studied by X-ray photoelectron spectroscopy. The recorded spectra of the Ni 2p, Zn 2p, and W 4f photoelectron lines and Ni L2M23M45, ...
Grain Boundary Wetting Phenomena in High Entropy Alloys Containing Nitrides, Carbides, Borides, Silicides, and Hydrogen: A Review
(MDPI, 2021)
In this review, we analyze the structure of multicomponent alloys without principal components (they are also called high entropy alloys—HEAs), containing not only metals but also hydrogen, nitrogen, carbon, boron, or ...
Al-driven peculiarities of local coordination and magnetic properties in single-phase Al x-CrFeCoNi high-entropy alloys
(Tsinghua University Press, 2021)
Modern design of superior multi-functional alloys composed of several principal components requires in-depth studies of their local structure for developing desired macroscopic properties. Herein, peculiarities of atomic ...
Unraveling the Structure and Properties of Layered and Mixed ReO3–WO3 Thin Films Deposited by Reactive DC Magnetron Sputtering
(American Chemical Society, 2022)
Tungsten trioxide (WO3) is a well-known electrochromic material with a wide band gap, while rhenium trioxide (ReO3) is a “covalent metal” with an electrical conductivity comparable to that of pure metals. Since both WO3 ...
Revealing the local structure of CuMo1−xWxO4 solid solutions by multi-edge X-ray absorption spectroscopy
(Elsevier, 2022)
The effect of tungsten substitution with molybdenum on the structure of CuMoWO (, 0.30, 0.50, 0.75) solid solutions was studied by multi-edge X-ray absorption spectroscopy. The simultaneous analysis of EXAFS spectra measured ...
Inner relaxations in equiatomic single-phase high-entropy cantor alloy
(Elsevier, 2022)
The superior properties of high-entropy multi-functional materials are strongly connected with their atomic heterogeneity through many different local atomic interactions. The detailed element-specific studies on a local ...
In Situ Study of Zinc Peroxide Decomposition to ZincOxide by X-Ray Absorption Spectroscopy and ReverseMonte Carlo Simulations
(Wiley, 2022)
The Zn K-edge X-ray absorption spectroscopy is used to investigate in situ the decomposition of zinc peroxide ((Formula presented.)) to zinc oxide (ZnO). Principal component and linear combination analyses of the extended ...
Microwave-assisted synthesis and characterization of undoped and manganese doped zinc sulfide nanoparticles
(Elsevier, 2022)
Undoped and Mn-doped ZnS nanocrystals were produced by the microwave-assisted solvothermal method and characterized by X-ray diffraction, photoluminescence spectroscopy and scanning electron microscopy with energy-dispersive ...
High Entropy Alloys for Energy Conversion and Storage: A Review of Grain Boundary Wetting Phenomena
(MDPI, 2022)
The multicomponent alloys with nearly equal concentration of components, also known as high entropy alloys (HEAs), were first proposed 22 years ago. The HEAs quickly became very important in materials science due to their ...