Search results for "FILM"
showing 10 items of 4577 documents
Crystal structure of sinhalite MgAlBO4 under high pressure
2015
We report on high-pressure angle-dispersive X-ray diffraction data up to 27 GPa for natural MgAlBO4 sinhalite mineral and ab initio total energy calculations. The experimental bulk modulus of sinhalite is B-0 = 171(3) GPa with a first-pressure derivative of B-0' = 4.2(3). A comparison with other olivine-type compounds shows that the value for B0 is 27% larger than that of Mg2SiO4 forsterite and 29% smaller than that of Al2BeO4 chrysoberyl. These differences are interpreted, on the basis of our ab initio calculations, in terms of the relative incompressibility of Al-O bonds in AlO6 octahedra (with a calculated bulk modulus of 250(1) GPa) as compared to Mg-O bonds in MgO6 octahedra (with a ca…
Fast and blister-free irradiation conditions for cross-linking of PMMA induced by 2MeV protons
2013
For soft lithography, the conventional negative tone resists, such as SU-8, that are used to create the mold have a number of drawbacks. PMMA, which is normally used as a positive tone resist, can be used as a negative resist by using high-fluence irradiation conditions. In this report, we outline optimization of the irradiation conditions for PMMA thin films using 2MeV H^+ ions to exploit their ability to work as a negative tone resist at ion fluences above 1.0x10^1^5ionscm^-^2. The main aim was to induce cross-linking while maintaining the exposed regions free of blisters and maintaining short irradiation times. We found that by using a two-step process with a low-flux irradiation, follow…
Development and Characterization of an Amorphous Solid Dispersion of Furosemide in the Form of a Sublingual Bioadhesive Film to Enhance Bioavailabili…
2017
Administered by an oral route, Furosemide (FUR), a diuretic used in several edematous states and hypertension, presents bioavailability problems, reported as a consequence of an erratic gastrointestinal absorption due to various existing polymorphic forms and low and pH-dependent solubility. A mucoadhesive sublingual fast-dissolving FUR based film has been developed and evaluated in order to optimize the bioavailability of FUR by increasing solubility and guaranteeing a good dissolution reproducibility. The Differential Scanning Calorimetry (DSC) analyses confirmed that the film prepared using the solvent casting method entrapped FUR in the amorphous state. As a solid dispersion, FUR increa…
Pressure dependence of the optical properties of wurtzite and rock-salt Zn1–xCoxO thin films
2007
In this paper we investigate the electronic structure of Zn 1-x Co x O by means of optical absorption measurements under pressure. Thin films of Zn 1-x Co x O with different Co content (from 1 to 30%) were prepared by pulsed laser deposition on mica substrates. Absorption spectra exhibit three main features that are clearly correlated to the Co content in the films: (i) absorption peaks in the infrared associated to crystal-field-split internal transitions in the Co 3d shell, with very small pressure coefficients due to their atomic character; (ii) a broad absorption band below the fundamental edge associated to charge transfer transitions, that exhibit relatively large pressure coefficient…
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…
Spectroscopic and electrochromical properties of metallophthalocyanines in silicate bulks and thin films prepared by the sol–gel method
2000
Abstract Magnesium phthalocyanine (MgPc) and praseodymium bisphthalocyanine (Pr(Pc) 2 ) have been entrapped in bulks and thin films of porous silicate xerogels prepared via the sol–gel method. The electronic absorption data obtained for the complexes immobilized in bulk sol–gel matrices indicate the formation of complex equilibria between their monomeric forms and respective agglomerates. Thin xerogel films doped with metallophthalocyanines and connecting two slides of transparent ITO electrodes display changes in the absorption spectra caused by varying of the applied voltage. These changes appear to be reversible in certain ranges of the applied voltages.
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 …