Search results for "coating"
showing 10 items of 2834 documents
Electronic structure of p-type ultraviolet-transparent conducting CuScO2 films
2008
Abstract We investigate the electronic structure of CuScO 2 thin films grown on sapphire and mica substrates by pulsed laser deposition. X-ray diffraction and microanalysis confirm that the films have the expected delafossite crystal structure and stoichiometric proportions. The electronic structure is investigated by means of X-ray and ultraviolet photoelectron spectroscopy. Electronic states in the range 0–1350 eV are identified, making reference to theoretical density-of-states calculations up to 80 eV. Photoelectron spectra near the Fermi energy confirm the p-character of the films. Optical absorption spectroscopy shows that the films are transparent up to 3.7 eV and exhibit an intense …
Ab Initio Studies of Triplet-State Properties for Organic Semiconductor Molecules
2012
Triplet–triplet annihilation (TTA) leads to a reduced efficiency of organic light-emitting diodes (OLEDs) at high current densities. Spacial confinement of the triplet excitons, which is mainly dependent on triplet energy differences, can reduce the TTA rate. Therefore, a deliberate choice of the organic semiconductor materials with particular attention to their triplet energies can help to considerably increase the device efficiency. Organic solid-state lasers are, on the other hand, efficiently quenched by singlet–triplet annihilation (STA), which is closely related to the triplet–triplet absorption of the organic semiconductors. To establish a useful set of parameters related to the proc…
Miscibility of cyanine dyes in two-dimensional aggregates
1995
Mixed aggregates of cyanine dyes at a charged lipid monolayer surface are studied by absorption spectroscopy, fluorescence microscopy and electron diffraction. We show that slight variations of the molecular structure can convert a system from being fully miscible to being immiscible, and also that the concentrations of dyes in the solution and in the crystal may deviate considerably. The different concentration in the solution and crystal was observed for a molecule where force field calculations indicated the existence of two isomers in solution and where probably only one fits into the lattice.
External pressure and composition effects on the atomic and electronic structure of SnWO4
2015
The atomic and electronic structure of tin tungstates, α-SnWO4, α-Sn1.03W0.99O4 and β-SnWO4 ,w as studied by the W L3-edge X-ray absorption spectroscopy and first-principles linear combination of atomic orbital (LCAO) calculations based on the hybrid exchange-correlation density functional (DFT)/ Hartree–Fock (HF) scheme. It was found that the crystal structure of both α-phases is built up of strongly distorted WO6 octahedra, whereas that of β-SnWO4 is composed of nearly regular WO4 tetrahedra. In addition, there are distorted SnO6 octahedra in both α- and β-phases. The metal–oxygen octahedra distortion is explained by the second-order Jahn–Teller effect. The influence of pressure on the st…
Protonation of the Biliverdin IXα Chromophore in the Red and Far-Red Photoactive States of a Bacteriophytochrome
2019
The tetrapyrrole chromophore biliverdin IXα (BV) in the bacteriophytochrome from Deinococcus radiodurans (DrBphP) is usually assumed to be fully protonated, but this assumption has not been systematically validated by experiments or extensive computations. Here, we use force field molecular dynamics simulations and quantum mechanics/molecular mechanics calculations with density functional theory and XMCQDPT2 methods to investigate the effect of the five most probable protonation forms of BV on structural stability, binding pocket interactions, and absorption spectra in the two photochromic states of DrBphP. While agreement with X-ray structural data and measured UV/vis spectra suggest that …
Ag11(SG)7 : A New Cluster Identified by Mass Spectrometry and Optical Spectroscopy
2014
We report a one-step and high yield synthesis of a red-luminescent silver cluster with the molecular formula, Ag11(SG)7 (SG: glutathionate) via reduction of silver ions by sodium borohydride in the presence of the tripeptide, glutathione (GSH). The as-prepared cluster shows prominent absorption features at 485 and 625 nm in its UV-vis absorption spectrum. Aging of the as-prepared cluster solution led to the disappearance of the 625 nm peak, followed by broadening of the 485 nm peak to give three maxima at ?487, 437, and 393 nm in its absorption spectrum. These peaks remain unchanged even after polyacrylamide gel electrophoresis (PAGE), where a single band was observed confirming high purity…
Fabrication and characterization of vacuum deposited fluorescein thin films
2011
Simple vacuum evaporation technique for deposition of dyes on various solid surfaces has been developed. The method is compatible with conventional solvent-free nanofabrication processing enabling fabrication of nanoscale optoelectronic devices. Thin films of fluorescein were deposited on glass, fluorine-tin-oxide (FTO) coated glass with and without atomically layer deposited (ALD) nanocrystalline 20 nm thick anatase TiO2 coating. Surface topology, absorption and emission spectra of the films depends on their thickness and the material of supporting substrate. On a smooth glass surface the dye initially formes islands before merging into a uniform layer after 5 to 10 monolayers. On FTO cove…
Experimental and robust modeling approach for lead(II) uptake by alginate gel beads: influence of the ionic strength and medium composition.
2014
Abstract Systematic kinetic and equilibrium studies on the lead ions removal ability by Ca-alginate gel beads have been performed by varying several internal parameters, namely, number of gel beads, nature and composition of the ionic medium and pH, which allowed us to model a wastewater in order to closely reproduce the composition of a real sample. Moreover, the effects brought about the different ionic species present in the reacting medium have been evaluated. Differential Pulse Anodic Stripping Voltammetry (DP-ASV), has been systematically used to perform kinetic and equilibrium measurements over continuous time in a wide range of concentration. Kinetic and equilibrium data have been q…
Thermal stability of transition alumina nanocrystals with different microstructures
2018
Abstract The preparation of well-crystallized boehmite nanoparticles with different morphologies, encompassing from aciculae or rods of 320, 150 and 70 nm of length to platelets of 50 nm in diameter, allowed a comparative study of their respective thermal evolutions as alumina precursors. Static thermal treatments of boehmite nanocrystals at 600, 1000 and 1200 °C and a dynamic, in situ synchrotron study between 100 and 1000 °C revealed that original boehmite microstructures, i.e. size and shape of the nanoparticles, were kept not only in γ-Al 2 O 3 but also in transitional aluminas up to 1000 °C. Specifically, at that temperature, acicular samples presented θ-Al 2 O 3 structure, while in pl…
Femtosecond up-conversion technique for probing the charge transfer in a P3HT : PCBM blend via photoluminescence quenching
2009
We report on an experimental study of the charge transfer dynamics in a P3HT : PCBM blend by means of a femtosecond fluorescence up-conversion technique. Using two-photon excitation we probe the exciton dynamics in P3HT and a P3HT : PCBM blend with a weight ratio of 1 : 1 at excitation densities of up to 6 × 1018 cm−3. In both samples we find strongly nonexponential decay traces compatible with (i) diffusion-limited exciton–exciton annihilation and (ii) diffusion-limited donor–acceptor charge transfer in the polymer blend. Additionally, our results indicate that in the P3HT : PCBM blend about 50% of the photogenerated excitons undergo a prompt charge transfer process on a time scale of abou…