Search results for "Quantum"
showing 10 items of 9714 documents
Unsaturated syn- and anti-1,2-Amino Alcohols by Cyclization of Allylic Bis-trichloroacetimidates. Stereoselectivity Dependence on Substrate Configura…
2014
Disubstituted allylic bis-imidates undergo Lewis acid catalyzed or spontaneous cyclization to oxazolines, which are precursors of unsaturated amino alcohols. Stereoselectivity of the cyclization is mainly determined by the substrate configuration. Highly selective cis-oxazoline formation is achieved starting from anti-E-bis-imidates while trans-oxazoline predominantly forms from anti-Z-bis-imidates. On the basis of DFT calculations, the stereoselectivity trends can be explained by the formation of the energetically most stable carbenium ion conformation, followed by the cyclization via most favorable bond rotations.
Properties of native ultrathin aluminium oxide tunnel barriers
2003
We have investigated planar metal–insulator–metal tunnel junctions with aluminium oxide as the dielectricum. These oxide barriers were grown on an aluminium electrode in pure oxygen at room temperature till saturation. By applying the Simmons model we derived discrete widths of the tunnelling barrier, separated by Δs ≈ 0.38 nm. This corresponds to the addition of single layers of oxygen atoms. The minimum thickness of s0 ≈ 0.54 nm is then due to a double layer of oxygen. We found a strong and systematic dependence of the barrier height on the barrier thickness. Breakdown fields up to 5 GV m−1 were reached. They decreased strongly with increasing barrier thickness. Electrical breakdown could…
Cu–Cu interactions in the transparent p-type conductors: CuAlO2 and SrCu2O2
2003
Abstract Electronic structures of the p-type Transparent Conducting Oxides (TCO): CuAlO2 and SrCu2O2 are calculated using the Tight Binding Linearized Muffin Tin Orbital within the Atomic Sphere Approximation method (TB-LMTO-ASA). The band structures indicate two gaps for CuAlO2 (an indirect one with ΔE≈0.45 eV and a direct one with ΔE≈1.25 eV) and one direct gap for SrCu2O2 (with ΔE≈2 eV). In both oxides the Cu states are dominant at the top of the valence band, close to the Fermi level and the existence of weak Cu–Cu bonding interactions is revealed through the Integrated Crystal Orbital Hamiltonian Population (ICOHP). The presence of such interactions suggests that for the hole doped oxi…
Thermochemical properties of small open-shell systems: experimental and high-levelab initioresults for NH2and
2006
The first adiabatic ionization energy and the first singlet–triplet splitting of the amidogen radical (NH2) have been determined by high-level ab initio quantum chemistry based on the coupled-cluster approach (90 041 and 10 319 cm−1, respectively) and by high-resolution pulsed-field-ionization zero-kinetic-energy (PFI-ZEKE) photoelectron spectroscopy (90 083.8 ± 1.0 and 10 222.0 ± 1.3 cm−1, respectively). A comparison between the theoretical and experimental values demonstrates the predictive powers of high-level ab initio theory in the derivation of the thermochemical properties of small molecular systems. The absolute accuracy of better than 100 cm−1 alleviates the experimental search for…
Blue luminescent amino-functionalized graphene quantum dots as a responsive material for potential detection of metal ions and malathion
2022
Large amounts of hazardous and toxic substances in the environment require non-toxic, cheap, easy, rapid, and sensitive methods for their detection. Blue luminescent graphene quantum dots (GQDs) were produced by electrochemical cleavage of graphite electrodes followed by gamma irradiation in the presence of ethylenediamine (EDA). Modified dots were able to detect metal ions (Co2+, Pd2+, Fe3+) due to photoluminescence quenching. The highest sensitivity was detected for the sample irradiated at a dose of 25 kGy. The limits of detection (LODs) were 1.79, 2.55, and 0.66 μmol L−1 for Co2+, Fe3+, and Pd2+, respectively. It was observed that GQDs irradiated at 200 kGy act as an ultra-sensitive tur…
High-efficiency silicon-compatible photodetectors based on Ge quantum dots
2011
We report on high responsivity, broadband metal/insulator/semiconductor photodetectors with amorphous Ge quantum dots (a-Ge QDs) as the active absorbers embedded in a silicon dioxide matrix. Spectral responsivities between 1-4 A/W are achieved in the 500-900 nm wavelength range with internal quantum efficiencies (IQEs) as high as ∼700%. We investigate the role of a-Ge QDs in the photocurrent generation and explain the high IQE as a result of transport mechanisms via photoexcited QDs. These results suggest that a-Ge QDs are promising for high-performance integrated optoelectronic devices that are fully compatible with silicon technology in terms of fabrication and thermal budget. © 2011 Amer…
Influence of the electro-optical properties of an a-Si:H single layer on the performances of a pin solar cell
2012
We analyze the results of an extensive characterization study involving electrical and optical measurements carried out on hydrogenated amorphous silicon (α-Si:H) thin film materials fabricated under a wide range of deposition conditions. By adjusting the synthesis parameters, we evidenced how conductivity, activation energy, electrical transport and optical absorption of an α-Si:H layer can be modified and optimized. We analyzed the activation energy and the pre-exponential factor of the dark conductivity by varying the dopant-to-silane gas flow ratio. Optical measurements allowed to extract the absorption spectra and the optical bandgap. Additionally, we report on the temperature dependen…
Electroluminescence and transport properties in amorphous silicon nanostructures
2006
We report the results of a detailed study on the structural, electrical and optical properties of light emitting devices based on amorphous Si nanostructures. Amorphous nanostructures may constitute an interesting system for the monolithic integration of optical and electrical functions in Si ULSI technology. In fact, they exhibit an intense room temperature electroluminescence (EL), with the advantage of being formed at a temperature of 900 °C, while at least 1100 °C is needed for the formation of Si nanocrystals. Optical and electrical properties of amorphous Si nanocluster devices have been studied in the temperature range between 30 and 300 K. The EL is seen to have a bell-shaped trend …
Glass-forming derivatives of 2-cyano-2-(4H-pyran-4-ylidene) acetate for light-amplification systems
2019
Abstract A series of 2-cyano-2-(4H-pyran-4-ylidene) acetate derivatives with triphenyl and 9H-carbazole moieties were synthesized and investigated, mostly for potential applications in organic solid state lasers. Synthesized compounds show remarkable amorphous film formation ability, tunable thermal properties (thermal stability varies from 190 °C to 387 °C and glass transition temperature from 94 °C up to 141 °C) with light absorption from 400 nm to 600 nm and photoluminescence from 600 nm up to 800 nm. Dyes with incorporated mono-styryl- electron donating fragment (KTB, KTBC and KTB3K) showed higher photoluminescence quantum yield (PLQY) (from 16% up to 23%), significantly lower amplified…
Amplified spontaneous emission of pyranyliden derivatives in PVK matrix
2016
One of the well-known red light emitting laser dyes is 4-(dicyanomethylene)-2-methyl-6-(4-dimethylaminostyryl)-4Hpyran ( DCM ). Amplified spontaneous emission (ASE) has been widely investigated of DCM molecules or its derivatives in polymer or low molecular weight matrix. The main issue for these molecules is aggregation which limits doping concentration in matrix. Lowest ASE threshold values within concentration range of 2 and 4 wt% were obtained. In this work ASE properties of two original DCM derivatives in poly(N-vinylcarbazole) ( PVK ) at various concentrations will be discussed. One of the derivatives is the same DCM dye with replaced butyl groups at electron donor part with bulky try…