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The local atomic structure and thermoelectric properties of Irdoped ZnO: hybrid DFT calculations and XAS experiments
(Royal Society of Chemistry, 2021)
We combined the hybrid density functional theory (DFT) calculations and X-ray absorption spectroscopy (XAS) experiments in the study of the local atomic structure around Ir ions in ZnO thin films with different iridium ...
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 ...
Epitaxial growth of perovskite oxide films facilitated by oxygen vacancies
(Royal Society of Chemistry, 2021)
Single-crystal epitaxial films of technologically important and scientifically intriguing multifunctional ABO3 perovskite-type metal oxides are essential for advanced applications and understanding of these materials. In ...
Oxidation State and Local Structure of Chromium Ions in LaOCl
(MDPI, 2021)
LaOCl doped with 0–10 mol% Cr was synthesized by thermal decomposition of chlorides. X-ray diffraction (XRD) analysis revealed that incorporation of chromium results in a decrease of the lattice parameter a and a simultaneous ...
Perovskite CH3NH3PbI3–XClx Solar Cells and their Degradation (Part 1: A Short Review)
(De Gruyter, 2021)
Development of hybrid organic-inorganic perovskite solar cells (PSC) has been one of the hottest research topics since 2013. Within brief literature review, we would like to achieve two objectives. Firstly, we ...
Comparative Hybrid Hartree-Fock-DFT Calculations of WO2-Terminated Cubic WO3 as Well as SrTiO3, BaTiO3, PbTiO3 and CaTiO3 (001) Surfaces
(MDPI, 2021)
We performed, to the best of our knowledge, the world’s first first-principles calculations for the WO2-terminated cubic WO3 (001) surface and analyzed the systematic trends in the WO3, SrTiO3, BaTiO3, PbTiO3 and CaTiO3 ...
Antibacterial Activity of Positively and Negatively Charged Hematite (α-Fe2O3) Nanoparticles to Escherichia coli, Staphylococcus aureus and Vibrio fischeri
(MDPI, 2021)
In the current study, the antibacterial activity of positively and negatively charged spherical hematite (α-Fe2O3) nanoparticles (NPs) with primary size of 45 and 70 nm was evaluated against clinically relevant bacteria ...
Lung on a Chip Development from Off-Stoichiometry Thiol–Ene Polymer
(MDPI, 2021)
Current in vitro models have significant limitations for new respiratory disease research and rapid drug repurposing. Lung on a chip (LOAC) technology offers a potential solution to these problems. However, these devices ...
Evaluation of Physicochemical Properties of Amphiphilic 1,4-Dihydropyridines and Preparation of Magnetoliposomes
(MDPI, 2021)
This study was focused on the estimation of the targeted modification of 1,4-DHP core with (1) different alkyl chain lengths at 3,5-ester moieties of 1,4-DHP (C12, C14 and C16); (2) N-substituent at position 1 of 1,4-DHP ...