Search
Now showing items 1-10 of 11
Thermal annealing and transformation of dimer F centers in neutron-irradiated Al2O3 single crystals
(Elsevier B.V., 2021)
The precise study of the thermal annealing of the F2-type dimer defects, being under discussion in the literature for a long time and responsible for the number of absorption bands below 4.5 eV, has been performed in ...
Synthesis and luminescent properties of Mn-doped alpha-tricalcium phosphate
(Elsevier, 2021)
In this work, a series of Mn2+-doped α-tricalcium phosphate (α-TCP) powders was synthesized by wet co-precipitation method followed by high-temperature annealing and thermal quenching. It was shown that Mn2+-doped α-TCP ...
Ab-Initio Calculations of Oxygen Vacancy in Ga2O3 Crystals
(Sciendo, 2021)
Gallium oxide β-Ga2O3 is an important wide-band gap semiconductor. In this study, we have calculated the formation energy and transition levels of oxygen vacancies in β-Ga2O3 crystal using the B3LYP hybrid exchange-correlation ...
Extraction–Pyrolytic Method for TiO2 Polymorphs Production
(MDPI, 2021)
The unique properties and numerous applications of nanocrystalline titanium dioxide (TiO2) are stimulating research on improving the existing and developing new titanium dioxide synthesis methods. In this work, we demonstrate ...
Study of phase composition, photocatalytic activity, and photoluminescence of TiO2 with Eu additive produced by the extraction-pyrolytic method
(Elsevier, 2021)
Due to the unique properties and wide array of applications of nanocrystalline materials based on titanium dioxide, the study of new synthesis approaches remains relevant. In this study, within the framework of the ...
Positron annihilation lifetime spectroscopy insight on free volume conversion of nanostructured MgAl2 O4 ceramics
(Multidisciplinary Digital Publishing Institute (MDPI), 2021)
Herein we demonstrate the specifics of using the positron annihilation lifetime spectroscopy (PALS) method for the study of free volume changes in functional ceramic materials. Choosing technological modification of ...
Evolution of free volumes in polycrystalline baga2o4 ceramics doped with eu3+ ions
(Multidisciplinary Digital Publishing Institute (MDPI), 2021)
BaGa2O4 ceramics doped with Eu3+ ions (1, 3 and 4 mol.%) were obtained by solid-phase sintering. The phase composition and microstructural features of ceramics were investigated using X-ray diffraction and scanning electron ...
Influence of "productive" Impurities (Cd, Na, O) on the Properties of the Cu2ZnSnS4Absorber of Model Solar Cells
(Walter de Gruyter, 2021)
Abstract
The study focuses on the optical properties of the CZTS multicomponent semiconductor absorber with 3 % "production"impurities of Cd, Na, O within the framework of the density functional theory using the generalized ...
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 ...
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 ...