Search results for "BAND"
showing 10 items of 2610 documents
Development of photocatalytically active heterostructured MnO/ZnO and CuO/ZnO films via solution precursor plasma spray process
2019
Abstract Heterostructured ZnO photocatalysts for the degradation of organic pollutant are mainly synthesized by conventional chemical methods, suffering from long duration, multi-steps, and post-treatment of the powder-formed catalysts after usage. In this paper, Solution Precursor Plasma Spray (SPPS) process is demonstrated to be a fast and efficient method for the one-step preparation of MnO/ZnO and CuO/ZnO heterostructured films for photocatalytic applications. The ratios between MnO or CuO and ZnO materials in the films were easily adjusted by varying the molar ratio of Mn(OAc)2 or Cu(OAc)2 relative to Zn(OAc)2 during the SPPS synthesis. To optimize the microstructure of selected CuO/Zn…
Hybrid organic-inorganic light emitting diodes: effect of the metal oxide
2010
Hybrid organic-inorganic light emitting diodes (HyLEDs), employing metal oxides as the electron injecting contacts, are interesting as an alternative to OLEDs. Until recently, the metal oxide of choice was either titanium dioxide or zinc oxide. In this work two wide bandgap metal oxides, HfO2 and MgO, are employed as electron injecting layer in HyLEDs. It is demonstrated that both the current density and the luminance values obtained are directly related to the barriers for electron injection (from the ITO to the metal oxide) and for hole transfer to the same metal oxide, outlining a new design rule for the optimization of HyLEDs. Record device efficacies (3.3 cd/A, >10000 cd/m2) using the …
Photocurrent spectroscopy in passivity studies
2018
The aim of this article is to present photocurrent spectroscopy as useful in situ technique for the physicochemical characterization of passive films and corrosion layers. The response of (both amorphous and crystalline) semiconductor/electrolyte junction under irradiation is treated and discussed in order to get information about solid-state properties such as band gap and flat band potential. The possibility to use Photocurrent Spectroscopy (PCS), in a quantitative way, to get information on the composition of corrosion layers is discussed through a semiempirical correlation between the band gap of the oxides (or hydroxides) and the difference of electronegativity of their constituents. F…
Untersuchungen zur Photoleitf�higkeit von alkoxysubstituierten Oligo- und Poly(1,4-phenylenethenylen)en
1994
Investigations on the Photoconductivity of Alkoxy Substituted Oligo- and Poly(1,4-phenyleneethenylene)s The photoreactivity and the photoconductivity of the mono- and dialkoxy substituted oligo- and poly(1,4-phenyleneethenylene)s 1/1′a-n were investigated in order to optimize the photoconducting properties of these materials. Increasing the length of the side chains enhances the average length of the main chain during the polycondensation and decreases the band gap till the limit of convergence is reached. The highest photoconductivity was observed for the 2,5-dipropyloxy system 1/1′j. Longer side chains render the charge transfer from chain to chain more difficult. The measurements were pe…
Two-dimensional hydrogenated buckled gallium arsenide: an ab initio study
2020
First-principles calculations have been carried out to investigate the stability, structural and electronic properties of two-dimensional (2D) hydrogenated GaAs with three possible geometries: chair, zigzag-line and boat configurations. The effect of van der Waals interactions on 2D H-GaAs systems has also been studied. These configurations were found to be energetic and dynamic stable, as well as having a semiconducting character. Although 2D GaAs adsorbed with H tends to form a zigzag-line configuration, the energy differences between chair, zigzag-line and boat are very small which implies the metastability of the system. Chair and boat configurations display a [Formula: see text]-[Formu…
Tunable 2D-gallium arsenide and graphene bandgaps in a graphene/GaAs heterostructure : an ab initio study
2019
The bandgap behavior of 2D-GaAs and graphene have been investigated with van der Waals heterostructured into a yet unexplored graphene/GaAs bilayer, under both uniaxial stress along c axis and different planar strain distributions. The 2D-GaAs bandgap nature changes from [Formula: see text]-K indirect in isolated monolayer to [Formula: see text]-[Formula: see text] direct in graphene/GaAs bilayer. In the latter, graphene exhibits a bandgap of 5 meV. The uniaxial stress strongly affects the graphene electronic bandgap, while symmetric in-plane strain does not open the bandgap in graphene. Nevertheless, it induces remarkable changes on the GaAs bandgap-width around the Fermi level. However, w…
Sol-gel auto-combustion synthesis of Ca2Fe2O5 brownmillerite nanopowders and thin films for advanced oxidation photoelectrochemical water treatment i…
2019
Abstract This study describes a straightforward Ca2Fe2O5 brownmillerite nanopowder and thin film synthesis by the water-based sol-gel auto-combustion method. The material characterization results confirmed the phase pure narrow bandgap Ca2Fe2O5 nanoparticle formation. The surface area of synthesized nanopowder was 13.55 m2/g. Powders at loading 1 g/l exhibit high visible light photocatalytic activity by degrading 10 mg/l methylene blue in water in 120 min confirmed by total organic carbon studies. The high visible light photocatalytic activity is related to Ca2Fe2O5 narrow band gap and high reduction potential of its conduction band which triggers the formation of superoxide radical ∙ O 2 -…
Ab initio calculations of MgF2 (001) and (011) surface structure
2010
We present the results of calculations of surface relaxations, rumplings, and charge distribution for the MgF2 (0 0 1) and (0 1 1) surfaces using ab initio code Crystal-2003 and the hybrid exchange-correlation B3PW functional. These two neutral and polar surfaces show very small relaxation and negligible increase of covalent contribution to the chemical bonding thus remaining considerably ionic. The calculated bulk optical band gap is in a good agreement with the experimental value, whereas optical band gap for the polar (0 1 1) surface is reduced by 0.6 eV compared with the calculated bulk value, in contrast to the (0 0 1) surface gap which remains very close to the bulk.
Ab initio hybrid DFT calculations of BaTiO3, PbTiO3, SrZrO3 and PbZrO3 (111) surfaces
2015
Abstract The results of ab initio calculations for polar BaTiO 3 , PbTiO 3 , SrZrO 3 and PbZrO 3 (111) surfaces using the CRYSTAL code are presented. By means of the hybrid B3LYP approach, the surface relaxation has been calculated for two possible B (B = Ti or Zr) or AO 3 (A = Ba, Pb or Sr) BaTiO 3 , PbTiO 3 , SrZrO 3 and PbZrO 3 (111) surface terminations. According to performed B3LYP calculations, all atoms of the first surface layer, for both terminations, relax inwards. The only exception is a small outward relaxation of the PbO 3 -terminated PbTiO 3 (111) surface upper layer Pb atom. B3LYP calculated surface energies for BaO 3 , PbO 3 , SrO 3 and PbO 3 -terminated BaTiO 3 , PbTiO 3 , …
Time-resolved luminescence and excitation spectroscopy of co-doped Gd3Ga3Al2O12 scintillating crystals
2020
The work of Viktorija Pankratova was supported by the Latvian Science Council grant LZP-2018/2-0358. Vladimir Pankratov gratefully acknowledges the financial support from the Ministry of Education and Science of the Russian Federation in the framework of Increase Competitiveness Program of NUST «MISiS» (Grant No. К3-2018-021). The research leading to this result has also been supported by the project CALIPSO plus under the Grant Agreement 730872 from the EU Framework Programme for Research and Innovation HORIZON 2020. Institute of Solid State Physics, University of Latvia as the Center of Excellence has received funding from the European Union’s Horizon 2020 Framework Programme H2020-WIDESP…