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971.
Prof. Dr. Jean Christophe Tremblay Ambre Blanc Dr. Pascal Krause Sucharita Giri Prof. Gopal Dixit 《Chemphyschem》2023,24(2):e202200463
The present work focuses on probing ultrafast charge migration after symmetry-breaking excitation using ultrashort laser pulses. LiCN is chosen as prototypical system because it can be oriented in the laboratory frame and it possesses optically-accessible charge transfer states at low energies. The charge migration is simulated within the hybrid time-dependent density functional theory/configuration interaction framework. Time-resolved electronic current densities and simulated time-resolved x-ray diffraction signals are used to unravel the mechanism of charge migration. Our simulations demonstrate that specific choices of laser polarization lead to a control over the symmetry of the induced charge migration. Moreover, time-resolved x-ray diffraction signals are shown to encode transient symmetry reduction at intermediate times. 相似文献
972.
973.
974.
Renata Toczy?owska 《Analytica chimica acta》2005,540(1):167-172
Back-side contact Au and Ag microelectrodes were used as transducers to construct planar all-solid-state electrodes suitable for flow-through analysis. The microsensors were based on plasticized PVC potassium-selective membranes containing ion-electron conducting polymer—polypyrrole doped with di(2-ethylhexyl) sulfosuccinate. The proposed technique allowed simple construction of microsensors in one step, by membrane solution casting directly on the surface of the planar metallic transducers. The performance of the microsensors based on Au and Ag transducers were determined and compared with planar sensors based on internal electrolyte immobilized in polyHEMA. The addition of the polypyrrole to the membrane composition did not influence on the selectivity, reproducibility and long-term stability of the microsensors but improved their standard potential stability in time in comparison with coated-wire type sensors. Moreover, all-solid-state microsensors based on Au transducers exhibited better signal stability than Ag based sensors. 相似文献
975.
Ring current effects on resonance-assisted and intramolecularly bridged hydrogen bond protons for 10-hydroxybenzo[h]quinoline 1 and a number of related compounds were calculated and the through-space NMR shieldings (TSNMRS) obtained hereby visualized as iso-chemical-shielding surfaces (ICSS) of various size and direction. These calculations revealed that this through-space effect is comparably large (up to 2?ppm) dependent on the position of the intramolecularly bridged OH proton, and therefore, contribute considerably to the chemical shift of the latter making it questionable to use δ(OH)/ppm in the estimation of intramolecular hydrogen bond strength without taking this into account. Furthermore, the anisotropy effects of additional groups on the aromatic moiety (e.g. the carbonyl group in salicylaldehyde or in o-hydroxyacetophenone of ca. 0.6?ppm deshielding) should also be considered. These through-space effects need to be taken into account when using OH chemical shifts to estimate hydrogen bond strength. 相似文献
976.
977.
《Current Applied Physics》2018,18(11):1441-1446
We demonstrate an acousto-optic mode converter based on a tapered optical fiber to efficiently generate orbital angular momentum states of light. In our scheme an acoustic wave is deployed to the waist of tapered optical fiber where two degenerate HE21 modes leading to +1 and −1 orbital angular momentum eigen-modes are resonantly excited. The excitation of TM01 and TE01 modes is suppressed by enlarging the intermodal index difference between near-degenerate spatial modes. Numerical calculation for optimization of the taper diameter is provided. The experimental characterization of generated states is performed by analyzing the output far-field pattern and the spatial interference fringes with a uniform reference beam. 相似文献
978.
The effect of heat treatment on the optical and electrical properties of Ge15Sb10Se75 and Ge25Sb10Se65 thin films in the range of annealing temperature 373-723 K has been investigated. Analysis of the optical absorption data indicates that Tauc's relation for the allowed non-direct transition successfully describes the optical processes in these films. The optical band gap (Egopt.) as well as the activation energy for the electrical conduction (ΔE) increase with the increase of annealing temperature (Ta) up to the glass transition temperature (Tg). Then a remarkable decrease in both the Egopt. and ΔE values occurred with a further increase of the annealing temperature (Ta>Tg). The obtained results were explained in terms of the Mott and Davis model for amorphous materials and amorphous to crystalline structure transformations. Furthermore, the deduced value of Egopt. for the Ge25Sb10Se65 thin film is higher than that observed for the Ge15Sb10Se75 thin film. This behavior was discussed on the basis of the chemical ordered network model (CONM) and the average value for the overall mean bond energy 〈E〉 of the amorphous system GexSb10Se90−x with x=15 and 25 at%. The annealing process at Ta>Tg results in the formation of some crystalline phases GeSe, GeSe2 and Sb2Se3 as revealed in XRD patterns, which confirms our discussion of the obtained results. 相似文献
979.
Green light emitting Mn2+ doped Zn2SiO4 particles embedded in SiO2 host matrix were synthesized by a sol–gel method. After the incorporation of ZnO:Mn nanoparticles in a silica monolith using sol–gel method with supercritical drying of ethyl alcohol in two steps, it was heat treated in air at 1200 °C for 2 h in order to obtain the SiO2/α-Zn2SiO4:Mn nanocomposites. The microstructure of phosphor crystals was characterized by transmission electron microscopy (TEM) and X-ray diffraction (XRD). XRD results indicate that the pure phase α-Zn2SiO4 with rhombohedral structure was obtained after thermal treatment at 1200 °C. The SiO2/α-Zn2SiO4:Mn nanocomposites with a Mn doping concentration of 1.5 at% exhibit two broadband emissions in the visible range: a strong green emission at around 525 nm and a second one in the range between 560 and 608 nm. This nanocomposite with a Mn doping concentration of 0.05 shows the highest relative emission intensity. Upon 255 nm excitation, the luminescence decay time of the green emission of Zn2SiO4:Mn around 525 nm is 11 ms. The luminescence spectra at 525 nm (4T1–6A1) and lifetime of the excited state of Mn2+ ions-doped Zn2SiO4 nanocrystals are investigated. 相似文献
980.
Anisotropic (elliptically polarized) photoinduced second harmonic generation (PISHG) in SiNxOy/Si1 1 1 films was proposed for contact-less monitoring of specimens with different nitrogen to oxygen (N/O) ratios. As a source for the photoinducing light, we used a nitrogen Q-switched pulse laser at wavelengths of 315, 337 and 354 nm as well as doubled frequency YAG–Nd laser wavelength (λ=530 nm). The YAG : Nd pulse laser (λ=1.06 μm; W=30 MW; τ=10–50 ps) was used to measure the PISHG. All measurements were done in a reflected light regime. We found that the output PISHG signal was sensitive to the N/O ratio and the film thickness. Measurements of the PISHG versus pumping wavelengths, powers, incident angles as well as independent measurements of the DC-electric field induced second harmonic generation indicate the major role played in this process by axially symmetric photoexcited electron–phonon states. The SiNxOy films were synthesized using a technique of chemical evaporation at low pressures. Films with thickness varying between 10 and 30 nm and with an N/O ratio between 0 and 1 were obtained. Electrostatic potential distribution at the Si1 1 1–SiNxOy interfaces was calculated. Comparison of the experimentally obtained and quantum chemically calculated PISHG data are presented. High sensitivity of anisotropic PISHG to the N/O ratio and film thickness is revealed. The role of the electron–phonon interactions in the dependencies observed is discussed. We have shown that the PISHG method has higher sensitivity than the traditional extended X-ray absorption fine structure spectroscopic and linear optical method for films with the N/O ratio higher than 0.50. 相似文献