Browsing Zinātniskie raksti (CFI) / Scientific articles by Title
Now showing items 505-514 of 514
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Vacancy defects in Ga2O3: First-principles calculations of electronic structure
(Multidisciplinary Digital Publishing Institute (MDPI), 2021)First-principles density functional theory (DFT) is employed to study the electronic structure of oxygen and gallium vacancies in monoclinic bulk β-Ga2 O3 crystals. Hybrid exchange– correlation functional B3LYP within the ... -
Variation of Nonlinear Refraction and Three-Photon Absorption of Indium–Tin Oxide Quantum Dot Thin Films and Solutions in Near Infrared Range
(MDPI, 2023)We characterize the nonlinear optical properties of indium–tin oxide (ITO) quantum dots (QDs) in the IR range using the Z-scan method. We present results of three-photon absorption (3PA), third harmonic generation (3HG), ... -
Vibrational analysis of paraelectric–ferroelectric transition of linbo3: An ab-initio quantum mechanical treatment
(MDPI, 2021)The phase transitions between paraelectric (PE) and ferroelectric (FE) isomorph phases of LiNbO3 have been investigated quantum mechanically by using a Gaussian-type basis set, the B3LYP hybrid functional and the CRYSTAL17 ... -
Water Splitting on Multifaceted SrTiO3 Nanocrystals: Calculations of Raman Vibrational Spectrum
(MDPI, 2022)Various photocatalysts are being currently studied with the aim of increasing the photocatalytic efficiency of water splitting for production of hydrogen as a fuel and oxygen as a medical gas. A noticeable increase of ... -
Water Splitting on Multifaceted SrTiO3 Nanocrystals: Computational Study
(Multidisciplinary Digital Publishing Institute (MDPI), 2021)Recent experimental findings suggest that strontium titanate SrTiO3 (STO) photocatalytic activity for water splitting could be improved by creating multifaceted nanoparticles. To understand the underlying mechanisms and ... -
WO3 as Additive for Efficient Photocatalyst Binary System TiO2/WO3
(Walter de Gruyter, 2021)Two different methods of synthesis of TiO2/WO3 heterostructures were carried out with the aim to increase photocatalytic activity. In this study, anodic TiO2 nanotube films were synthesized by electrochemical anodization ... -
Wood and Black Liquor-Based N-Doped Activated Carbon for Energy Application
(Multidisciplinary Digital Publishing Institute (MDPI), 2021)Fuel cells, batteries and supercapacitors are critical to meet the rising global demand for clean, sustainable energy. Biomass-derived activated carbon can be obtained with tailored properties to fulfil the extensive need ... -
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 ... -
X-ray absorption near edge spectroscopy of thermochromic phase transition in CuMoO4
(Institute for Low Temperature Physics and Engineering, 2018)Thermochromic phase transition was studied in CuMoO4 using the Cu and Mo K-edge x-ray absorption spec-troscopy in the temperature range of 10-300 K. The hysteretic behavior has been evidenced from the tempera-ture dependence ... -
X-ray excited luminescence of SrAl2O4:Eu,Dy at low temperatures
(Elsevier B.V., 2018)