Browsing Zinātniskie raksti (CFI) / Scientific articles by Title
Now showing items 169-188 of 514
-
Fabrication and characterization of magnetic FePt nanoparticles prepared by extraction–pyrolysis method
(Lietuvos Mokslu Akademijos, 2018)In the present work, possibilities of the extraction–pyrolysis method (EPM) to produce FePt nanoparticles with the face-centered tetragonal (fct) phase were studied. A mixture of fine-disperse powder of carbonyl iron and ... -
Facile synthesis of magnetically separable CoFe2O4/Ag2O/Ag2CO3 nanoheterostructures with high photocatalytic performance under visible light and enhanced stability against photodegradation
(Elsevier Sci Ltd., 2017)We have developed magnetically separable and reasonably stable visible light active photocatalysts containing CoFe2O4 and mixture of Ag2O/Ag2CO3 nanoheterostructures. Obtained ternary nanoheterostructures outperform ... -
Fast-Response Single-Nanowire Photodetector Based on ZnO/WS2 Core/Shell Heterostructures
(American Chemical Society, 2018)The surface plays an exceptionally important role in nanoscale materials, exerting a strong influence on their properties. Consequently, even a very thin coating can greatly improve the optoelectronic properties of ... -
Fe and Zn co-substituted beta-tricalcium phosphate (β-TCP): Synthesis, structural, magnetic, mechanical and biological properties
(Elsevier, 2020)In the present work, Fe3+ and Zn2+ co-substituted β-tricalcium phosphate (β-TCP) has been synthesized by wet co-precipitation method. Co-substitution level in the range from 1 to 5 mol% has been studied. Thermal decomposition ... -
Fe-N/C catalysts for oxygen reduction based on silicon carbide derived carbon
(Elsevier Inc., 2017)Two different Fe-N/C(SiC) catalysts (Fe + Bipyr/C(SiC) and Fe + Phen/C(SiC)) for oxygen reduction based on silicon carbide derived carbon were synthesized and investigated in 0.1 M KOH aqueous solution by rotating disc ... -
FIBRE OPTICAL COUPLER SIMULATION BY COMSOL MULTIPHYSICS SOFTWARE
(Sciendo, 2022)The paper presents a simulation model developed for a special optical coupler intended for coupling radiation from signal and pump sources used for the realization of cladding-pumped doped fibre amplifiers. The model is ... -
Filterless Visible-Range Color Sensing and Wavelength-Selective Photodetection Based on Barium/Nickel Codoped Bandgap-Engineered Potassium Sodium Niobate Ferroelectric Ceramics
(Wiley-Blackwell, 2023)Photosensors, photodetectors, or color sensors are key components for various optical and optoelectronic applications. Semiconductor-based photodetection has been a dominator which is excellent at measuring the photon ... -
Finding electron-hole interaction in quantum kinetic framework
(De Gruyter Open Ltd, 2018)The article presents a quantum kinetic framework to study interacting quantum systems. Having the constituting model Hamiltonians of two-band semiconductor and the photoexcited electron-hole pair, their quantum kinetic ... -
First Principles Calculations of Atomic and Electronic Structure of Ti3+Al- and Ti2+Al-Doped YAlO3
(Multidisciplinary Digital Publishing Institute (MDPI), 2021)In this paper, the density functional theory accompanied with linear combination of atomic orbitals (LCAO) method is applied to study the atomic and electronic structure of the Ti3+ and Ti2+ ions substituted for the host ... -
First Principles Calculations of Hydrogen Evolution Reaction and Proton Migration on Stepped Surfaces of SrTiO3
(Wiley, 2023)Recent research suggests that photocatalytic activity toward water splitting of strontium titanate SrTiO3 (STO) is enhanced by creating multifaceted nanoparticles. To better understand the source of this activity, a ... -
First principles calculations of oxygen reduction reaction at fuel cell cathodes
(Elsevier B.V., 2020)The efficiency of solid oxide fuel cells (SOFC) depends critically on materials, in particular for the cathode where the oxygen reduction reaction (ORR) occurs. Typically, mixed conducting perovskite ABO3-type materials ... -
First principles calculations on CeO2 doped with Tb3+ ions
(Elsevier B.V., 2019)The atomic and electronic structure of CeO2 doped with Tb has been calculated from first principles with inclusion of strong correlation effects on the basis of Hubbard model (DFT + U). The two values of Hubbard U-parameter ... -
First principles hybrid Hartree–Fock–DFT calculations of bulk and (001) surface F centers in oxide perovskites and alkaline-earth fluorides
(American Institute of Physics, 2020)We report the results of ab initio calculations and analysis of systematic trends for the F centers in the bulk and on the (001) surface in oxide perovskites, such as BaTiO3, SrTiO3, SrZrO3, and PbZrO3, with a corresponding ... -
First principles modeling of 3d-metal doped three-layer fluorite-structured TiO2 (4,4) nanotube to be used for photocatalytic hydrogen production
(Elsevier, 2017)We have estimated theoretically the photocatalytic suitability of thinnest single-wall fluorite-structured titania (4,4) nanotube (NT) possessing three layers each (O-Ti-O) and doped by Sc, V, Cr, Mn, Fe, Co, Ni, Cu and ... -
First Principles Simulations on Migration Paths of Oxygen Interstitials in MgAl2O4
(Wiley-VCH Verlag, 2018)Thermal stability of the primary electronic defects – F‐type centers – in oxide materials is controlled by their recombination with much more mobile complementary defects – interstitial oxygen ions Oi. Thus, the study of ... -
First-principles calculations of iodine-related point defects in CsPbI3
(Royal Society of Chemistry, 2019)We present here first principles hybrid functional calculations of the atomic and electronic structure of several iodine-related point defects in CsPbI3, a material relevant for photovoltaic applications. We show that the ... -
First-principles calculations of oxygen interstitials in corundum: A site symmetry approach
(Royal Society of Chemistry, 2017)Using site symmetry analysis, four possible positions of interstitial oxygen atoms in the α-Al2O3 hexagonal structure have been identified and studied. First principles hybrid functional calculations of the relevant atomic ... -
First-principles calculations on Fe-Pt nanoclusters of various morphologies
(Nature Publishing Group, 2017)Bimetallic FePt nanoparticles with L1 0 structure are attracting a lot of attention due to their high magnetocrystalline anisotropy and high coercivity what makes them potential material for storage of ultra-high density ... -
First-principles comparative study of perfect and defective CsPbX3 (X = Br, I) crystals
(Royal Society of Chemistry, 2020)First principles Density Functional Theory (DFT) hybrid functional PBESOL0 calculations of the atomic and electronic structure of perfect CsPbI3, CsPbBr3 and CsPbCl3 crystals, as well as defective CsPbI3 and CsPbBr3 crystals ... -
First-Principles Evaluation of the Morphology of WS2 Nanotubes for Application as Visible-Light-Driven Water-Splitting Photocatalysts
(American Chemical Society, 2019)One-dimensional tungsten disulfide (WS2) single-walled nanotubes (NTs) with either achiral, i.e., armchair (n, n) and zigzag-type (n, 0), or chiral (2n, n) configuration with diameters dNT > 1.9 nm have been found to be ...