Search results for "HOT"
showing 10 items of 14851 documents
Pd2Au36(SR)(24) cluster: structure studies
2015
The location of the Pd atoms in Pd2Au36(SC2H4Ph)(24), is studied both experimentally and theoretically. X-ray photoelectron spectroscopy (XPS) indicates oxidized Pd atoms. Palladium K-edge extended X-ray absorption fine-structure (EXAFS) data clearly show Pd-S bonds, which is supported by far infrared spectroscopy and by comparing theoretical EXAFS spectra in R space and circular dichroism spectra of the staple, surface and core doped structures with experimental spectra.
Measuring optical anisotropy in poly(3,4-ethylene dioxythiophene):poly(styrene sulfonate) films with added graphene
2015
Abstract Graphene is a 2D nanomaterial having a great potential for applications in electronics and optoelectronics. Composites of graphene with conducting polymers have shown high performance in practical devices and their solution-processability enables low-cost and high-throughput mass manufacturing using printing techniques. Here we measure the effect of incorporation of graphene into poly(3,4-ethylene dioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) to the optical anisotropy, absorbance and conductivity of the film. Uniaxial anisotropy in PEDOT:PSS films has been thought to be caused by the spin-coating process used in fabrication. We have characterized spray- and spin-coated films …
A Theoretical and Experimental Investigation of the Spectroscopic Properties of a DNA-Intercalator Salphen-Type ZnIIComplex
2014
The photophysical and DNA-binding properties of the cationic zinc(II) complex of 5-triethylammonium methyl salicylidene ortho-phenylenediiminato (ZnL 2 + ) were investi- gated by a combination of experimental and theoretical methods. DFT calculations were performed on both the ground and the first excited states of ZnL 2 + and on its possi- ble mono- and dioxidation products, both in vacuo and in selected solvents mimicked by the polarizable continuum model. Comparison of the calculated absorption and fluores- cence transitions with the corresponding experimental data led to the conclusion that visible light induces a two-elec- tron photooxidation process located on the phenylenediimi- nato…
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
2020
Over the last few years, extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a high degree of precision. An appealing and challenging route toward engineering materials with tailored properties is to find ways to design or selectively manipulate materials, especially at the quantum level. To this end, having a state-of-the-art ab initio computer simulation tool that enables a reliable and accurate simulation of light-induced changes in the physical and chemical properties of complex systems is of utmost importance. The first principles real-space-based Octopus project was born with that idea in mind,…
Trapped Ion Oscillation Frequencies as Sensors for Spectroscopy
2010
The oscillation frequencies of charged particles in a Penning trap can serve as sensors for spectroscopy when additional field components are introduced to the magnetic and electric fields used for confinement. The presence of so-called "magnetic bottles" and specific electric anharmonicities creates calculable energy-dependences of the oscillation frequencies in the radiofrequency domain which may be used to detect the absorption or emission of photons both in the microwave and optical frequency domains. The precise electronic measurement of these oscillation frequencies therefore represents an optical sensor for spectroscopy. We discuss possible applications for precision laser and microw…
Realization of time-resolved two-vacuum-ultraviolet-photon ionization
2009
International audience; Ultrafast dynamics of excited molecules is studied through time-resolved two-vacuum-ultraviolet (vuv)- photon ionization using a nonlinear volume autocorrelator unit. The two-vuv-photon process is induced by the intense fifth harmonic radiation of a femtosecond Ti:sapphire laser. In a proof-of-principle experiment, ultrafast dynamics of excited ethylene and oxygen molecules are investigated. Molecular decay times are deduced by comparing the experimental data with the results of a numerical model that accounts for the spatial and temporal characteristics of the harmonic field. The present experiments pave a convenient way for time domain investigations in the vuv-xuv s…
Spectroscopy of short-lived radioactive molecules
2020
Molecular spectroscopy offers opportunities for the exploration of the fundamental laws of nature and the search for new particle physics beyond the standard model1–4. Radioactive molecules—in which one or more of the atoms possesses a radioactive nucleus—can contain heavy and deformed nuclei, offering high sensitivity for investigating parity- and time-reversal-violation effects5,6. Radium monofluoride, RaF, is of particular interest because it is predicted to have an electronic structure appropriate for laser cooling6, thus paving the way for its use in high-precision spectroscopic studies. Furthermore, the effects of symmetry-violating nuclear moments are strongly enhanced5,7–9 in molecu…
Photocatalytic activity in gas–solid regime of ZnO-ZnAl2O4 composites
2011
Influence of Nitrogen Doping on Device Operation for TiO₂-Based Solid-State Dye-Sensitized Solar Cells: Photo-Physics from Materials to Devices.
2015
Solid-state dye-sensitized solar cells (ssDSSC) constitute a major approach to photovoltaic energy conversion with efficiencies over 8% reported thanks to the rational design of efficient porous metal oxide electrodes, organic chromophores, and hole transporters. Among the various strategies used to push the performance ahead, doping of the nanocrystalline titanium dioxide (TiO2) electrode is regularly proposed to extend the photo-activity of the materials into the visible range. However, although various beneficial effects for device performance have been observed in the literature, they remain strongly dependent on the method used for the production of the metal oxide, and the influence o…
Standard testing of photovoltaic modules for use in renewable energy education
2015
A photovoltaic laboratory exercise has been devised and used in the educational curriculum of the Renewable Energy Programme at the University of Jyväskylä. The purpose of the experimental tasks is to give students of renewable energy a good understanding of standard testing procedures used in industry for characterising photovoltaic modules and to provide practical skills in sizing simple photovoltaic installations. Herein the experimental set-up, basic theory and measurement procedure are described. The experimental apparatus is simple to assemble and uses both standard laboratory equipment and recycled components. From the experimental results, the tested PV cell had a maximum efficiency…