Search results for "absorptio"
showing 10 items of 2815 documents
Donor-π-acceptors containing the 10-(1,3-dithiol-2-ylidene)anthracene unit for dye-sensitized solar cells
2012
Two donor-acceptor molecular tweezers incorporating the 10-(1,3-dithiol-2-ylidene)anthracene unit as donor group and two cyanoacrylic units as accepting/anchoring groups are reported as metal-free sensitizers for dye-sensitized solar cells. By changing the phenyl spacer with 3,4-ethylenedioxythiophene (EDOT) units, the absorption spectrum of the sensitizer is red-shifted with a corresponding increase in the molar absorptivity. Density functional calculations confirmed the intramolecular charge-transfer nature of the lowest-energy absorption bands. The new dyes are highly distorted from planarity and are bound to the TiO(2) surface through the two anchoring groups in a unidentate binding for…
Silver Sulfide Nanoclusters and the Superatom Model
2015
The superatom model of electron-shell closings has been widely used to explain the stability of noble-metal nanoclusters of few nanometers, including thiolate-protected Au and Ag nanoclusters. The presence of core sulfur atoms in silver sulfide (Ag–S) nanoclusters renders them a class of clusters with distinctive properties as compared to typical noble-metal clusters. Here, it is natural to ask whether the superatom model is still applicable for the Ag–S nanoclusters with mixed metal and nonmetal core atoms. To address this question, we applied density functional simulations to analyze a series of Ag–S nanoclusters: Ag14S(SPh)12(PPh3)8, Ag14(SC6H3F2)12(PPh3)8, Ag70S16(SPh)34(PhCO2)4(triphos…
UV filters: From sunscreens to human body and the environment
2007
Recognition of the harmful effects of ultraviolet (UV) radiation on the skin has triggered development of organic chemicals (commonly referred as UV filters) that can absorb UV radiation and attenuate the negative effects of sunlight exposure. Depending on the properties and the intended degree of protection, a wide array of combinations is being marketed as delivering protection against most kinds of UV-induced skin damage. However, some UV filters have dermatological implications, so maximum applicable concentrations have been established. To monitor to what extent commercial products comply with the mandatory limits, several analytical methods have been used for their determination in co…
Biological Monitoring Using Lichens as a Source of Information About Contamination of Mountain with Heavy Metals
2022
Abstract The aim of this study was passive biomonitoring of the mountains of southern Poland. Lichens Hypogymnia physodes were used for the study. Concentrations of the heavy metals Ni, Cu, Zn, Cd and Pb were determined in these lichens. The concentrations were measured by atomic absorption spectrometry (AAS). The analysis of the concentrations of the determined heavy metals in the lichen thallus allowed to determine the places with the highest and the lowest contamination with a given heavy metal in the study area. It was shown that the area of Great Czantoria and Big Soszow is the most contaminated with heavy metals among the investigated areas. The study shows that the transport of analy…
Weathering of low-density polyethylene grafted with itaconic acid in laboratory tests
2011
Polyethylene grafted with itaconic acid was subjected to weathering under laboratory accelerated conditions. The course of the photo-oxidative degradation process of that material was studied by FTIR spectroscopy both through quantitative measurements of changes in absorbance values at selected wave numbers and through measurements of surface area values for absorption bands which were separated by means of deconvolution. The use of both those procedures of quantitative determinations resulted in a general conclusion that the oxidation process was initiated from the very first moment of irradiation, and it produced ketones, acids, esters (intramolecular and of acetate type), peracids, peres…
Absorption of European Funds by Romania During 2014-2020
2021
Abstract The time span between 2014 and 2020 constitutes a new, multi-annual financial framework. During this time, by negotiating with the European Union, Romania received financing through 5 major types of funds which were part of the European Structural Investments Funds (ESIF) and which were structured in six major Operational Programs, the most consistent of which is POIM - The Major Infrastructure Operational Program (MIOP). Within this financial framework, Romania needs to improve its absorption of funds based on the experience gained in the previous framework, with regards to issues like bureaucracy, corruption, lack of qualified personnel for the implementation of projects, the tra…
Molecular spectra of liquors as method of studying delignification process
2011
FTIR-spectra of dried compounds of black liquors after aspen kraft cooks of different duration were obtained. Twelve samples corresponding to changing H-factor value in limits 4-1010 were investigated. The parameters of selected bands corresponding to lignin fragments vibrations were calculated using mathematical treatment methods. It was revealed that the positions and bandwidths of these lignin bands did not change. During cook at the first stage (H-factor values 4-200) their intensities strongly increased with different rates. During the next time period when the H-factor values were more than 200 a slow phase with small changes of the bands intensities were revealed. The IR-spectra of b…
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…
Strongly Coupled Coherent Phonons in Single-Layer MoS 2
2019
We present a transient absorption setup combining broadband detection over the visible-UV range with high temporal resolution ($\sim$20fs) which is ideally suited to trigger and detect vibrational coherences in different classes of materials. We generate and detect coherent phonons (CPs) in single layer (1L) MoS$_2$, as a representative semiconducting 1L-transition metal dichalcogenide (TMD), where the confined dynamical interaction between excitons and phonons is unexplored. The coherent oscillatory motion of the out-of-plane $A'_{1}$ phonons, triggered by the ultrashort laser pulses, dynamically modulates the excitonic resonances on a timescale of few tens fs. We observe an enhancement by…
KOSMOS 2017 Peru Side Experiment: nutrients, phytoplankton abundances, enzyme rates, photophysiology
2022
This data was collected during an short-term incubation experiment in March 2017 that investigated the response of a surface plankton community to upwelling. This experiment was carried in the framework of the SFB754-funded KOSMOS mesocosm study that took place in La Punta, Callao, Peru between February-April 2017. A total of six different treatments were used to disentangle chemical and biological characteristics of deep water that influence surface plankton blooms: 2 different deep water sources with different nutrient concentrations; 3 treatments to distinguish the effects of inorganic nutrients, organic nutrients and deep water microbial populations. Measured variables include inorganic…