Search results for " absorption spectroscopy"
showing 10 items of 293 documents
Investigation of Many‐Body Effects in the Quasi‐Two‐Dimensional Electronic System of Organic Charge‐Transfer Salts
2019
Study of High-Temperature Behaviour of ZnO by Ab Initio Molecular Dynamics Simulations and X-ray Absorption Spectroscopy
2021
Wurtzite-type zinc oxide (w-ZnO) is a widely used material with a pronounced structural anisotropy along the c axis, which affects its lattice dynamics and represents a difficulty for its accurate description using classical models of interatomic interactions. In this study, ab initio molecular dynamics (AIMD) was employed to simulate a bulk w-ZnO phase in the NpT ensemble in the high-temperature range from 300 K to 1200 K. The results of the simulations were validated by comparison with the experimental Zn K-edge extended X-ray absorption fine structure (EXAFS) spectra and known diffraction data. AIMD NpT simulations reproduced well the thermal expansion of the lattice, and the pronounced …
Oxidation State and Local Structure of Chromium Ions in LaOCl
2021
This research is funded by the Latvian Council of Science, project “Novel transparent nanocomposite oxyfluoride materials for optical applications”, project No. LZP-2018/1-0335. 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.
Quaternary structure dependence of kinetic hole burning and conformational substates interconversion in hemoglobin.
2003
Using a sol-gel encapsulation technique, we have prepared samples of CO saturated human adult hemoglobin locked in the R or T quaternary conformation. We report time-resolved spectra of these samples in the Soret region following flash photolysis, in the time interval ranging from 250 ns to 200 ms and in the temperature interval of 100-170 K. A suitable analysis of the measured difference spectra enables us to obtain the spectral contribution of deoxyHb and HbCO molecules as a function of time and/or of the fraction N(t) of deoxyHb molecules. In our experimental time window geminate CO rebinding to hemoglobin in the T quaternary conformation is about 2 orders of magnitude slower than to hem…
Simulating pump-probe photo-electron and absorption spectroscopy on the attosecond time-scale with time-dependent density-functional theory
2013
Molecular absorption and photoelectron spectra can be efficiently predicted with real-time time-dependent density functional theory. We show herein how these techniques can be easily extended to study time-resolved pump-probe experiments, in which a system response (absorption or electron emission) to a probe pulse is measured in an excited state. This simulation tool helps with the interpretation of fast-evolving attosecond time-resolved spectroscopic experiments, in which electronic motion must be followed at its natural timescale. We show how the extra degrees of freedom (pump-pulse duration, intensity, frequency, and time delay), which are absent in a conventional steady-state experimen…
Oral intake of cadmium, cobalt, copper, iron, lead, nickel, manganese and zinc in the university student's diet.
1993
A duplicate diet meal study was carried out with a group of university students living in a hostel, in order to estimate the intake of Zn, Cd, Co, Cu, Fe, Mn, Ni and Pb. Zn, Cu, Fe, Mn and Ni were determined by flame atomic absorption spectrophotometry and Cd, Co and Pb by graphite furnace atomic absorption spectrophotometry after a nitric acid wet digestion procedure. The estimated intake values from the contents of breakfast, lunch, dinner and drinks were compared with the values of the Provisional Tolerable Daily Intake (PTDI) in the case of Cd and Pb, Recommended Dietary Allowances (RDA) of Co, Fe and Zn and Estimated Safe and Adequate Dietetic Daily Intake (ESADDI) of Cu and Mn. Neithe…
Total absorption spectroscopy of fission fragments relevant for reactor antineutrino spectra
2016
International audience; The accurate determination of reactor antineutrino spectra remains a very active research topic for which new methods of study have emerged in recent years. Indeed, following the long-recognized reactor anomaly (measured antineutrino deficit in short baseline reactor experiments when compared with spectral predictions), the three international reactor neutrino experiments Double Chooz, Daya Bay and Reno have recently demonstrated the existence of spectral distortions in their measurements with respect to the same predictions. These spectral predictions were obtained through the conversion of integral beta-energy spectra obtained at the ILL research reactor. Several s…
Total Absorption Spectroscopy of Fission Fragments Relevant for Reactor Antineutrino Spectra and Decay Heat Calculations
2015
Volume: 111 Host publication title: WONDER-2015 Host publication sub-title: 4TH INTERNATIONAL WORKSHOP ON NUCLEAR DATA EVALUATION FOR REACTOR APPLICATIONS Isbn(print): 978-2-7598-1970-6 Beta decay of fission products is at the origin of decay heat and antineutrino emission in nuclear reactors. Decay heat represents about 7% of the reactor power during operation and strongly impacts reactor safety. Reactor antineutrino detection is used in several fundamental neutrino physics experiments and it can also be used for reactor monitoring and non-proliferation purposes. Rb-92,Rb-93 are two fission products of importance in reactor antineutrino spectra and decay heat, but their beta-decay properti…
Frequency-modulation spectroscopy with blue diode lasers
2000
Frequency-modulation spectroscopy provides ultrasensitive absorption measurements. The technique is especially adaptable to diode lasers, which can be modulated easily, and has been used extensively in the near-infrared and infrared spectral regions. The availability of blue diode lasers now means that the accessible wavelength region can be increased. We successfully demonstrate wavelength-modulation spectroscopy and two-tone frequency-modulation spectroscopy for the weak second resonance line of potassium at 404.8 nm and for the transition at 405.8 nm in lead, starting from the thermally populated 6p(2) P-3(2) metastable level, information on the modulation parameters is obtained with a f…
Subpicosecond Laser Spectroscopy of Blue-Light-Induced Absorption in KNbO3 and LiNbO3
2000
Pulses of 427-nm light from am amplified Ti:sapphire frequency-doubled laser are absorbed in two-photon band-gap excitations of KNbO3 and LiNbO3. Induced absorption spectra measured in the visible and recently extended in the infrared have been recorded as a function of delay from 0 to 250 ps after two-photon blue excitation. Samples include stoichiometric as well as congruent LiNbO3. Comparison is made to transient absorption in the nanosecond and longer time range induced by electron pulses of~10 ns width and 270 keV energy. Parts of the absorption can be attributed to bound and free polarons, including the intrinsic electron polaron.