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Origin of pressure-induced insulator-to-metal transition in the van der Waals compound FePS3 from first-principles calculations
(John Wiley and Sons Inc., 2020)
Pressure-induced insulator-to-metal transition (IMT) has been studied in the van der Waals compound iron thiophosphate (FePS3) using first-principles calculations within the periodic linear combination of atomic orbitals ...
Interdependence of Oxygenation and Hydration in Mixed-Conducting (Ba,Sr)FeO3-δPerovskites Studied by Density Functional Theory
(American Chemical Society, 2020)
Protonic-electronic mixed-conducting perovskites are relevant as cathode materials for protonic ceramic fuel cells (PCFCs). In the present study, the relation between the electronic structure and the thermodynamics of ...
Identifying iron-bearing nanoparticle precursor for thermal transformation into the highly active hematite photo-fenton catalyst
(MDPI AG, 2020)
The hematite photo-Fenton catalysis has attracted increasing attention because it offers strong oxidation of organic pollutants under visible light at neutral pH. In the present work, aqueous synthesis of hematite photo-Fenton ...
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 ...
Composite membranes of sulfonated poly (Ether ether ketone) with active carbon: Composite preparation and investigation of their properties for potential application for co2 electrochemical reduction
(Kauno Technologijos Universitetas, 2020)
In this study, synthesis of sulfonated poly(ether ether ketone) (SPEEK) was performed using sulfonation method with concentrated sulfuric acid. Polymer with three degrees of sulfonation was obtained: 0.87; 0.82 and 0.74. ...
Dynamics of Singlet Oxygen Molecule Trapped in Silica Glass, Studied by Luminescence Polarization Anisotropy and Density Functional Theory
(American Chemical Society, 2020)
The lowest excited electronic state of the O2 molecule, a1Δg, the "singlet oxygen", is of utmost importance for photochemistry and photobiology. For O2 trapped in silica glass, the lifetime of this state and the associated ...
Effects of steric encumbrance of iridium(iii) complex core on performance of solution-processed organic light emitting diodes
(Royal Society of Chemistry, 2020)
Iridium(iii) complexes are the most frequently applied commercialized green and red emitters for organic light emitting diode (OLED) displays. Throughout years a significant research effort has been devoted to modify these ...
Permanent photodoping of plasmonic gallium-ZnO nanocrystals
(Royal Society of Chemistry, 2020)
Donor dopants in oxide semiconductors are compensated not only by valuable electrons but also by other point defects, leading to a decrease in electric conductivity and infrared absorption. We demonstrate that the electron ...
Hardness and modulus of elasticity of atomic layer deposited Al2O3-ZrO2 nanolaminates and mixtures
(Elsevier B.V., 2020)
Atomic layer deposition was used to produce 90–105 nm thick alumina-zirconia mixtures and nanolaminate structures on soda-lime glass substrate. The resultant chemical and structural compositions of the thin films were ...
Accumulation of radiation defects and modification of micromechanical properties under MgO crystal irradiation with swift 132Xe ions
(Elsevier B.V., 2020)
Accumulation of F-type defects under irradiation of MgO crystals by 0.23-GeV 132Xe ions with fluence varying by three orders of magnitude has been investigated via the spectra of optical absorption and low-temperature ...