Search results for "vacancies"

Beyond ideal two-dimensional metals: Edges, vacancies, and polarizabilities

2018

Recent experimental discoveries of graphene-stabilized patches of two-dimensional (2D) metals have motivated also their computational studies. However, so far the studies have been restricted to ideal and infinite 2D metallic monolayers, which is insufficient because in reality the properties of such metallic patches are governed by microstructures pervaded by edges, defects, and several types of perturbations. Here we use density-functional theory to calculate edge and vacancy formation energies of hexagonal and square lattices of 45 elemental 2D metals. We find that the edge and vacancy formation energies are strongly correlated and decrease with increasing Wigner-Seitz radii, analogously…

Physical Fundamentals of Biomaterials Surface Electrical Functionalization

2020

This article is focusing on electrical functionalization of biomaterial&rsquo

Effect of Urea–Hydrogen Peroxide Content on the Photocatalytic Activity of Zinc Oxide Nanoparticles

2021

ZnO nanoparticles (NPs) were synthesized using zinc acetate dihydrate, ethanol, and oxalic acid as precursor, solvent, and complexing agent, respectively, and urea–hydrogen peroxide (UHP) as, simultaneously, nitrogen precursor and oxygen donor. The structural, morphological, textural, and optical properties of ZnO photocatalysts were investigated using different characterization methods such as XRD, SEM, BET, and UV-Vis-DRS. The XRD patterns showed that the products consisted of ZnO and revealed the presence of nitrogen. SEM images revealed the agglomeration and aggregation of NPs. The photocatalytic activity of ZnO samples was estimated based on the photo-oxidation of 2-propanol under UV i…

Vacancy Defects in Ga2O3: First-Principles Calculations of Electronic Structure

2021

This research was funded by the Science Committee of the Ministry of Education and Science of the Republic of Kazakhstan (Grant No. AP08856540) as well as by the Latvian research council via the Latvian National Research Program under the topic ?High-Energy Physics and Accelerator Technologies?, Agreement No: VPP-IZM-CERN-2020/1-0002 for A.I. Popov. In addition, J. Purans is grateful to the ERAF project 1.1.1.1/20/A/057 while A. Platonenko was supported by Latvian Research Council No. LZP-2018/1-0214. The authors thank A. Lushchik and M. Lushchik for many useful discussions. The research was (partly) performed in the Institute of Solid State Physics, University of Latvia ISSP UL. ISSP UL as…

The prevalence of surface oxygen vacancies over the mobility of bulk oxygen in nanostructured ceria for the total toluene oxidation

2015

12 figures, 2 tables

Correlation between Zn vacancies and photoluminescence emission in ZnO films.

2006

Photoluminescence and positron annihilation spectroscopy have been used to characterize and identify vacancy-type defects produced in ZnO films grown on sapphire by metal-organic chemical-vapor deposition. The photoluminescence of the samples in the near band edge region has been studied, paying particular attention to the emission at 370.5 nm (3.346 eV). This emission has been correlated to the concentration of Zn vacancies in the films, which has been determined by positron annihilation spectroscopy. Jesus.Zuniga@uv.es Vicente.Munoz@uv.es

Search in the labour markets : empirical evidence of the role of technology and sanctions

2014

Catalytic performance of CoAlZn and NiAlZn mixed oxides in hydrogen production by bio-ethanol partial oxidation

2013

CoAlZn and NiAlZn mixed oxides were prepared by sol-gel method and tested in partial oxidation of bio-ethanol (POE). At lower temperatures, CoAlZn showed higher ethanol conversion and higher selectivity to H2 and CO than NiAlZn. At higher temperatures, ethanol conversion on both catalysts reached 100%, while selectivity (S) to H2 and CO became higher on NiAlZn. At 750 C, NiAlZn showed S(H2) of 95%, S(CO) of 90%, while for CoAlZn these values were 90% and 83% respectively. Both catalysts were resistant to coking, but the amount of carbon deposits was still lower on NiAlZn. During 50 h on-stream, ethanol conversion and selectivity to H2 and CO on NiAlZn remained unchanged demonstrating stable…

N-TiO2 Photocatalysts highly active under visible irradiation for NOX abatement and 2-propanol oxidation

2013

N-doped TiO2 powders were prepared by two different sol-gel methods. Samples were characterised by X-ray diffraction (XRD), BET specific surface area measurements (SSA), scanning electron microscopy (SEM), diffuse reflectance spectroscopy (DRS), X-ray photoelectron spectroscopy (XPS) and Electron Paramagnetic Resonance (EPR). XPS measurements revealed a signal at 400 eV assignable to nitrogen in the form of Ti-N-O. EPR signals are attributed to molecular NO trapped with cavities/defects possibly interacting with oxygen vacancies. The photocatalytic activity under UV and visible light was determined following the abatement of NOx and the photodegradation of 2-propanol in gas-solid systems. N…

Highly Active Co3O4-Based Catalysts for Total Oxidation of Light C1–C3 Alkanes Prepared by a Simple Soft Chemistry Method: Effect of the Heat-T…

2021

9 figures, 2 tables.