Search results for "absorption spectra"
showing 10 items of 21 documents
Transient absorption and luminescence of LiNbO3 and KNbO3
2001
Abstract The results of time-resolved optical absorption spectra in congruent and stoichiometric LiNbO3 as well as KNbO3 crystals are reported. The role of different polaron types in transient absoiption and luminescence spectra and decay kinetics are discussed.
Near-Infrared Spectra of Water Confined in Silica Hydrogels in the Temperature Interval 365−5 K
2002
We have used a sol−gel technique to obtain optically transparent hydrogels in which water is trapped within a tridimensional disordered silica matrix. A suitable aging of these hydrogels enables to have transparent noncracking samples down to cryogenic temperatures. We report the optical absorption spectra, in the near-infrared region, of water trapped in our silica hydrogels, measured in the temperature range 365−5 K, and we compare them with the same spectra of liquid water, measured in the temperature range 365−263 K. The data show that it is possible to have noncrystallizing water even at 5 K: indeed, the overtone bands at ∼1.41 μm and at ∼1.155 μmtypical of “weakly bonded” water molec…
Model performance of partial least squares in utilizing the visible spectroscopy data for estimation of algal biomass in a photobioreactor
2018
[EN] Spectroscopy technology and statistical methods (Partial Least Squares) have been integrated to develop a model that allows estimating the microalgal biomass in a photobioreactor. The model employing PLS combines the absorption spectrum measurements in the visible range (400-750 nm) with a microalgae cell density in a water sample. First, a calibration model was constructed using a calibration data set, and then, the predictive capacity of the model was determined by cross validation. Finally, an external validation of the predictive performance of the model was carried out with an independent data set. To test the accuracy of the model it was applied to different culture conditions yi…
Time-Dependent Density Functional Theory Calculations of N- and S-Doped TiO2 Nanotube for Water-Splitting Applications
2021
This research was funded by the Latvian Council of Science grant LZP-2018/2-0083. Institute of Solid State Physics, University of Latvia, as the Center of Excellence, has received funding from the European Union?s Horizon 2020 Framework Program H2020-WIDESPREAD-01-2016-2017-TeamingPhase2 under Grant Agreement No. 739508, project CAMART2.
Luminescence of impyrity and radiation defects in magnesium oxide irradiated by fast neutrons
2009
Abstract The photoluminescence, its excitation and absorption spectra of MgO single crystals are investigated before and after the irradiation with fast neutrons. It is shown that the fast neutron irradiation leads to the formation of two types of centers: the interstitial proton H + i and the Mg(OH) 2 microphase. From the behaviour of the photoluminescence (PL) and its excitation (PLE) spectra we suppose that the photoluminescence band at 730 nm of the MgO crystals belongs to the complex V − OH − Fe 3+ centers, which is transformed during the irradiation with fast neutrons. The obtained results allow assume that the transitionions play an important role in the migration of vacancies and in…
Observing heme doming in myoglobin with femtosecond X-ray absorption spectroscopy.
2015
International audience; We report time-resolved X-ray absorption measurements after photolysis of carbonmonoxy myoglobin performed at the LCLS X-ray free electron laser with nearly 100 fs (FWHM) time resolution. Data at the Fe K-edge reveal that the photoinduced structural changes at the heme occur in two steps, with a faster (∼70 fs) relaxation preceding a slower (∼400 fs) one. We tentatively attribute the first relaxation to a structural rearrangement induced by photolysis involving essentially only the heme chromophore and the second relaxation to a residual Fe motion out of the heme plane that is coupled to the displacement of myoglobin F-helix
Synthetic and natural chromium bearing spinels: an optical spectroscopy study
2014
Four samples of synthetic chromium-bearing spinels of (Mg, Fe2+)(Cr, Fe3+)2O4 composition and four samples of natural spinels of predominantly (Mg, Fe2+)(Al, Cr)2O4 composition were studied at ambient conditions by means of optical absorption spectroscopy. Synthetic end-member MgCr2O4 spinel was also studied at pressures up to ca. 10 GPa. In both synthetic and natural samples, chromium is present predominantly as octahedral Cr3+ seen in the spectra as two broad intense absorption bands in the visible range caused by the electronic spin-allowed 4A2g → 4T2g and 4A2g → 4T1g transitions (U- and Y-band, respectively). A distinct doublet structure of the Y-band in both synthetic and natural spine…
Spectral Transmission of the Human Corneal Layers
2021
Este artículo se encuentra disponible en la siguiente URL: https://www.mdpi.com/2077-0383/10/19/4490 Este artículo de investigación pertenece a la sección "Ophthalmology". We have assessed the spectral transmittance of the different layers of the human cornea in the ultraviolet (UV), visible, and near-infrared (IR) spectral ranges. Seventy-four corneal sample donors were included in the study. Firstly, the corneal transmittance was measured using a spectrophotometer. Then, all samples were fixed for histopathological analysis, which allowed us to measure the thickness of each corneal layer. Finally, the absorption coefficients of the corneal layers were computed by a linear model reproducin…
Optical Properties of Natural and Synthetic Minerals
2015
The results of investigation of optical absorption and photoluminescence (PL) of topaz, beryl and yttrium aluminium garnet crystals doped with different concentrations of transition ions exposed to fast neutron irradiation and electron irradiation are presented. We suppose that irradiation leads to the formation of two types of complex centers: "Me2+-F+ (or F) centre" and complex centers, which consist of a cation vacancy and an impurity (iron, manganese and chromium) ion. Exchange interaction between radiation defects and impurity ions during neutron or electron irradiation gives rise to appearance of additional absorption and luminescence band broadening in investigated crystals.
Combined Spectroscopic and TD-DFT Analysis to Elucidate Substituent and Acidochromic Effects in Organic Dyes: A Case Study on Amino- versus Nitro-Sub…
2020
Made available in DSpace on 2020-12-12T01:33:30Z (GMT). No. of bitstreams: 0 Previous issue date: 2020-01-01 A combined spectroscopic and TD-DFT case study was performed, to identify a robust method to calculate the complex near UV/Vis absorption spectra of various amino- vs. nitro-substituted 2,4-diphenylquinolines, which vary strongly under neutral and successively acidic conditions. For this, different DFT functionals were tested for geometry optimization and the TD part to calculate the neutral and different protonated species in a fast screening approach, i. e. using single point calculations in an implicit solvent. Offset-corrected M06HF, hitherto only applied to polymers, was identif…