Search results for "layer"
showing 10 items of 2667 documents
Photoelectrochemical evidence of inhomogeneous composition at nm length scale of anodic films on valve metals alloys
2016
Abstract Anodic films of different thickness (∼30 nm and 70 nm) were grown by anodizing sputtering-deposited Ta-19at% Al to different formation voltages. N incorporation into the anodic films was inducing by performing the anodizing process in ammonium containing solutions. Layered anodic films were prepared by a double formation procedure with a first anodizing step in ammonium biborate solution and second anodizing step in borate buffer solution, or vice versa. Glow Discharge Optical Emission Spectroscopy was employed to show the distribution of N across the oxide. Photoelectrochemical measurements evidenced a red shift of the light absorption threshold due to N incorporation. A model was…
Origin of pressure-induced insulator-to-metal transition in the van der Waals compound FePS3 from first-principles calculations
2020
The authors acknowledge the assistance of the University Computer Center of Saint‐Petersburg State University in the accomplishment of high‐performance computations. A.K. is grateful to the Latvian Council of Science project no. lzp‐2018/2‐0353 for financial support.
Preparation and properties of radio-frequency-sputtered half-Heusler films for use in solar cells
2011
Abstract The class of half-Heusler compounds opens possibilities to find alternatives for II–VI or III–V compound semiconductors. We aim to find suitable substitutes for the cadmium sulphide buffer layer in chalcopyrite-based thin film solar cells, where the buffer layer is located between the p-type chalcopyrite absorber and an n-type transparent window layer. We report here the preparation of radio-frequency-sputtered lithium copper sulphide “LiCuS” and lithium zinc phosphide “LiZnP” films. The optical analysis of these films revealed band gaps between 1.8 and 2.5 eV, respectively. Chemical properties of the film surface and both interfaces between the film and a Cu ( In , Ga ) Se 2 layer…
Optical and photovoltaic properties of indium selenide thin films prepared by van der Waals epitaxy
2001
Indium selenide thin films have been grown on p-type gallium selenide single crystal substrates by van der Waals epitaxy. The use of two crucibles in the growth process has resulted in indium selenide films with physical properties closer to these of bulk indium selenide than those prepared by other techniques. The optical properties of the films have been studied by electroabsorption measurements. The band gap and its temperature dependence are very close to those of indium selenide single crystals. The width of the fundamental transition, even if larger than that of the pure single crystal material, decreases monotonously with temperature. Exciton peaks are not observed even at low temper…
Efficient Perovskite Light-Emitting Diodes: Effect of Composition, Morphology, and Transport Layers
2018
Organic-inorganic metal halide perovskites are emerging as novel materials for light-emitting applications due to their high color purity, band gap tunability, straightforward synthesis, and inexpensive precursors. In this work, we improve the performance of three-dimensional perovskite light-emitting diodes (PeLEDs) by tuning the emissive layer composition and thickness and by using small-molecule transport layers. Additionally, we correlate PeLED efficiencies to the perovskite structure and morphology. The results show that the PeLEDs containing perovskites with an excess of methylammonium bromide (MABr) to lead bromide (PbBr2) in a 2:1 ratio and a layer thickness of 80 nm have the highes…
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…
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…
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 , …
Novel 2D boron nitride with optimal direct band gap: A theoretical prediction
2022
Abstract A novel structurally stable 2D-boron nitride material, namely di-BN, is predicted by means of the first-principles simulations. This monolayer BN system is composed of the azo (N-N) and diboron (B-B) groups. Its in-plane stiffness is close to the monolayer h-BN. Usually, the boron nitride materials are semiconductors with large band gaps. However, the monolayer di-BN possesses a moderate direct band gap of 1.622 eV obtained from our HSE06 calculation. Although the GW correction enlarges the band gap to 2.446 eV, this value is still in the range of the visible light. The detailed investigation of its band arrangement reveals that this material is able to product hydrogen molecules i…
Microhardness and adhesion measurements of reactively sputtered TiN/AlN multilayer coatings deposited as function of mass-flow of nitrogen
1998
Abstract Multilayer coatings of (Ti, Al)N x have been deposited by reactive sputtering from Ti and Al targets in a side-by-side configuration on WC and stainless steel substrates. The rotation of the substrate holder varied from 2 to 14 r.p.m. corresponding to a bilayer thickness of 0.8–8 nm. The acoustic emission scratch technique for adhesion measurements was used for studying coating performance, and critical load values for the coatings on WC substrate up to 150 N were obtained. The Vickers microhardness in the load range 0.003–2 N was measured, and in order to obtain true hardness values, an optimal range of indentation depth and coating thickness was determined. Depending on the nitro…