Search results for "Surfaces"

Four-faceted nanowires generated from densely-packed TiO2 rutile surfaces: Ab initio calculations

2013

Abstract Two-dimensional (2D) slabs and monoperiodic (1D) nanowires orthogonal to the slab surface of rutile-based TiO 2 structure terminated by densely-packed surfaces and facets, respectively, have been simulated in the current study. The procedure of structural generation of nanowires (NWs) from titania slabs (2D → 1D) is described. We have simulated: ( i ) (110), (100), (101) and (001) slabs of different thicknesses as well as ( ii ) [001]- and [110]-oriented nanowires of different diameters terminated by either four types of related {110} facets or alternating { 1 1 ¯ 0 } and {001} facets, respectively. Nanowires have been described using both the Ti atom-centered rotation axes as well…

Adsorption of single Ag and Cu atoms on regular and defective MgO(001) substrates: an ab initio study

2004

Abstract The DFT slab calculations were performed for Ag and Cu atoms adsorbed on both regular and defective MgO(0 0 1) substrates. Both metal atoms and surface O vacancies ( F s centers) were distributed uniformly with a concentration of one Ag, Cu or F s per 2×2 surface supercell. Surface O 2− ions are energetically more preferable for metal-atom adsorption on a regular substrate as compared to Mg 2+ ions. The nature of the interaction between Ag or Cu adatoms and a defectless MgO substrate is physisorption (despite the difference in the adsorption energies: 0.62 vs. 0.39 eV per Cu and Ag adatom, respectively). Above the F s centers, metal atoms are bounded much stronger when compared wit…

Nitride-based heterostructures grown by MOCVD for near- and mid-infrared intersubband transitions

2007

Intersubband (lSB) optical absorption in different nitride-based heterostructures grown by metal-organic chemical vapour deposition (MOCVD) is reported. The role of indium in AlInN/GaN multi-quantum wells (MQWs) is investigated. At high concentration (15%) AlInN is quasi lattice-matched to GaN and no cracks appear in the structure. At very low indium concentration (similar to 2%) the material quality is improved without decreasing the ISB transition wavelength with respect to the case of indium-free structures. Different mechanisms of strain relaxation in pure and 2% indium-doped AlN/GaN MQW structures are also investigated. ISB transition wavelengths of 2 urn for AlN/GaN MQWs, and 3 mu n f…

Ultrafast Charge Separation at the CdSe/CdS Core/Shell Quantum Dot/Methylviologen Interface: Implications for Nanocrystal Solar Cells

2011

Exciton separation dynamics in the electron transfer system containing highly photostable CdSe/CdS core/shell nanocrystal quantum dots and adsorbed methylviologen was investigated by means of femtosecond absorption spectroscopy. The experiments revealed that electron extraction from the photoexcited core is possible, and the rate of the ET reaction strongly depends on the CdS shell thickness. A CdS associated exponential decay constant β of 0.33 A−1 was obtained reflecting the electronic barrier effect of the shell. These findings show that core/shell structures are well suited for the design of optimized QD-based solar cells.

CO2 laser-induced structure changes in lead zirconate titanate Pb(Zr0.58Ti0.42)O3 sol–gel films

2003

Based on absorption spectra of lanthanum modified lead zirconate titanate Pb0.9La0.1(Zr0.65Ti0.35)O3 (PLZT10/65/35) ferroelectric ceramics an idea of local and selective treatment of lead zirconite titanate Pb(ZrXTi1−X)O3 (PZT) sol–gel film in the multi-layer structure by CO2 laser radiation was formulated. The possibility to obtain PZT perovskite film on the SiO2/Si substrate by irradiation with CO2 laser was shown experimentally. X-ray studies revealed the PZT perovskite structure ratio growth at the expenses of pirochlore structure with an increased power density of laser radiation.

Synthesis and characterization of GaN/ReS2, ZnS/ReS2 and ZnO/ReS2 core/shell nanowire heterostructures

2020

This research was funded by the ERDF project “Smart Metal Oxide Nanocoatings and HIPIMS Technology”, project number: 1.1.1.1/18/A/073. 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-WIDESPREAD-01-2016-2017-TeamingPhase2 under grant agreement No. 739508, project CAMART².

Local structure relaxation in nanocrystalline Ni1−xO thin films

2014

Abstract Non-stoichiometric nickel oxide (Ni 1 − x O) thin films were prepared by DC magnetron sputtering technique in mixed Ar/O 2 atmosphere and studied by synchrotron radiation Ni K-edge x-ray absorption spectroscopy, x-ray diffraction and scanning electron microscopy. The use of advanced modelling technique, combining classical molecular dynamics with ab initio multiple-scattering extended x-ray absorption fine structure calculations, allowed us to describe the structure relaxation and dynamics in nanocrystallites and to estimate their size and the concentration of nickel vacancies.

Structure and dynamics of water confined in silica hydrogels: X-ray scattering and dielectric spectroscopy studies.

2003

We have used a sol-gel technique to obtain optically transparent hydrogels in which water is confined within a 3D silica matrix. In this work we report X-ray scattering and dielectric spectroscopy measurements on samples having different aging times and compare them with previously obtained results with near-infrared (NIR) absorption spectroscopy. X-ray scattering at room temperature enables to characterize the structure and size of the matrix pores and the non-uniform distribution of water inside the hydrogel. Broad band dielectric spectroscopy in the temperature range 130-280 K enables to study water dynamics. In aged hydrogels two relaxations are clearly evident and show characteristic t…

Irradiation of nuclear materials with laser-plasma filaments produced in air and deuterium by terrawatt (TW) laser pulses

2017

Analysis of the electromagnetic radiation generated by a multipactor discharge occurring within a microwave passive component

2010

International audience; Multipactoring is a non-linear phenomenon that appears in highpower microwave equipments operating under vacuum conditions and causes several undesirable effects. In this manuscript, a theoretical and experimental study of the RF spectrum radiated by a multipactor discharge, occurring within a realistic microwave component based on rectangular waveguides, is reported. The electromagnetic coupling of a multipactor current to the fundamental propagative mode of a uniform waveguide has been analyzed in the context of the microwave network theory. The discharge produced under a single-carrier RF voltage regime has been approached as a shunt current source exciting such a…