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71.
The lifetime of electrostatically trapped indirect excitons in a field-effect structure based on coupled AlGaN/GaN quantum wells has been theoretically studied. Within the plane of a double quantum well, indirect excitons are trapped between the surfaces of the AlGaN/GaN heterostructures and a semitransparent metallic top gate. The trapping mechanism has been assumed to be a combination of the quantum confined Stark effect and local field enhancement. In order to study the trapped exciton lifetime, the binding energy of indirect excitons in coupled quantum wells is calculated by finite difference method in the presence of an electric field. Thus, the lifetime of trapped excitons is computed as a function of well width, AlGaN barrier width, the position of double quantum well in the device and applied voltage. 相似文献
72.
Sara Giarrusso Paola Gori-Giorgi Klaas J. H. Giesbertz 《The European Physical Journal B - Condensed Matter and Complex Systems》2018,91(8):186
The response part of the exchange-correlation potential of Kohn–Sham density functional theory plays a very important role, for example for the calculation of accurate band gaps and excitation energies. Here we analyze this part of the potential in the limit of infinite interaction in density functional theory, showing that in the one-dimensional case it satisfies a very simple sum rule. 相似文献
73.
Extensive objective energy-based parameters have been measured in 12 Mudejar-Gothic churches in the south of Spain. Measurements took place in unoccupied churches according to the ISO-3382 standard. Monoaural objective measures in the 125-4000 Hz frequency range and in their spatial distributions were obtained. Acoustic parameters: clarity C80, definition D50, sound strength G and center time Ts have been deduced using impulse response analysis through a maximum length sequence measurement system in each church. These parameters spectrally averaged according to the most extended criteria in auditoria in order to consider acoustic quality were studied as a function of source-receiver distance. The experimental results were compared with predictions given by classical and other existing theoretical models proposed for concert halls and churches. An analytical semi-empirical model based on the measured values of the C80 parameter is proposed in this work for these spaces. The good agreement between predicted values and experimental data for definition, sound strength, and center time in the churches analyzed shows that the model can be used for design predictions and other purposes with reasonable accuracy. 相似文献
74.
A simple and efficient procedure has been developed for the synthesis of biologically relevant 2‐substituted benzimidazoles through a one‐pot condensation of o‐phenylenediamines with aryl aldehydes catalysed by iron oxide magnetic nanoparticles (Fe3O4 MNPs) in short reaction times with excellent yields. In the present study, Fe3O4 MNPs synthesized in a green manner using aqueous extract of white tea (Camelia sinensis) (Wt‐Fe3O4 MNPs) were applied as a magnetically separable heterogeneous nanocatalyst to synthesize 2‐(4‐chlorophenyl)‐1H–benzo[d]imidazole which has potential application in pharmacology and biological systems. Fourier transform infrared and NMR spectroscopies were used to characterize the 2‐(4‐chlorophenyl)‐1H–benzo[d]imidazole. In vitro cytotoxicity studies on MOLT‐4 cells showed a dose‐dependent toxicity with non‐toxic effect of 2‐(4‐chlorophenyl)‐1H–benzo[d]imidazole, up to a concentration of 0.147 µM. The green synthesized Wt‐Fe3O4 MNPs as recyclable nanocatalyst could be used for further research on the synthesis of therapeutic materials, particularly in nanomedicine, to assist in the treatment of cancer. 相似文献
75.
Dr. Sara Realista Janaína C. Almeida Sofia A. Milheiro Dr. Nuno A. G. Bandeira Dr. Luis G. Alves Dr. Filipe Madeira Prof. Dr. Maria José Calhorda Dr. Paulo N. Martinho 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(50):11670-11679
Three CoII octaazacryptates, with different substituents on the aromatic rings (Br, NO2, CCH), were synthesised and characterised. These and the already published non-substituted cryptate catalysed CO2 photoreduction to CO and CH4 under blue visible light at room temperature. Although CO was observed after short irradiation times and a large range of catalyst concentrations, CH4 was only observed after longer irradiation periods, such as 30 h, but with a small catalyst concentration (25 nm ). Experiments with 13C labelled CO2 showed that CO is formed and reacts further when the reaction time is long. The CCH catalyst is deactivated faster than the others and the more efficient catalyst for CH4 production is the one with Br. This reactivity trend was explained by an energy decomposition analysis based on DFT calculations. 相似文献
76.
Tarighi Sara Modanlou Juibari Nafise Binaeizadeh Mohammadreza 《Research on Chemical Intermediates》2019,45(4):1737-1752
Research on Chemical Intermediates - In the present study, four different binders including two synthesized alumina-silica sol and two commercially available binders comprising LUDOX AS-30... 相似文献
77.
Hans Vanrompay Armand Bch Johan Verbeeck Sara Bals 《Particle & Particle Systems Characterization》2019,36(7)
One of the emerging challenges in the field of 3D characterization of nanoparticles by electron tomography is to avoid degradation and deformation of the samples during the acquisition of a tilt series. In order to reduce the required electron dose, various undersampling approaches have been proposed. These methods include lowering the number of 2D projection images, reducing the probe current during the acquisition, and scanning a smaller number of pixels in the 2D images. A comparison is made between these approaches based on tilt series acquired for a gold nanoparticle. 相似文献
78.
Activated carbon production from almond shells using phosphoric acid activation agent was achieved by applying both conventional heating and microwave heating in succession. The morphology and surface properties of activated carbon were studied using thermogravimetric and differential gravimetric analysis, Fourier-transform infrared spectroscopy, scanning electron microscopy, and Brunauer–Emmett–Teller analysis. A surface area of 1128 m2/g was achieved by optimizing the microwave power (500?W), microwave application time (15?minutes), conventional heating time (45?minutes), conventional heating temperature (500?°C), and the phosphoric acid:sample ratio (0.7:1). An adsorption capacity of methylene blue of 148?mg/g and an iodine value of 791?mg/g was obtained for the prepared activated carbon. 相似文献
79.
A novel Schiff base namely (E)-3-((2,6-dihydroxypyrimidin-4-ylimino)methyl)-4H-chromen-4-one and its Co (II), N (II)i, Cu (II) and Cd (II) complexes have been synthesized and proved by elemental analysis, molar conductance, thermal analysis (TGA), Inductive Coupled plasma (ICP), magnetic moment measurements, X-ray powder diffraction, IR, EI-mass,1H NMR, 13C NMR,UV–Vis. and ESR spectral studies. On the basis of these data, it is evident that the Schiff base acts as bidentate via oxygen atom of carbonyl group and azomethine nitrogen atom for Co (II) complex; monobasic bidentate ligand for Ni (II), Cu (II) and Cd (II) complexes via oxygen atom of hydroxyl group and nitrogen atom of pyrimidine ring. The results showed all complexes have octahedral geometry. The average particle size of the ligand and its complexes were found to be 1.010–0.343 nm. The pharmacological action (antioxidant, antimicrobial and anticancer) of the prepared compounds is studied. The antitumor activity of the ligand and its metal complexes is evaluated against human liver carcinoma (HEPG2) cell. The data displayed the Co (II) complexes strong cytotoxicity where IC50 values of Co (II) complex and 5-fluorouracil (stander drug) are 9.33 and 7.86 μg/ml respectively. The Co (II) and Cd (II) complexes have antibacterial activity more than ampicillin (stander drug). The interaction of the synthesized compounds with calf-thymus DNA (CT-DNA) has been performed via absorption spectra and viscosity technique. The DNA- binding constants have been determined. 相似文献
80.
Sara Gil-Guerrero Prof. Manuel Melle-Franco Prof. Ángeles Peña-Gallego Prof. Marcos Mandado 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(68):16138-16143
The Clar Goblet, the first radical bowtie nanographene proposed by Erich Clar nearly 50 years ago, was recently synthesized. Bowtie nanographenes present quasi-degenerate magnetic ground states, which make them so elusive as unique. A thorough analysis is presented of the spin-state energetics of Clar Goblet and bowtie nanographenes by a battery of existing and novel ab initio procedures ranging from density functional theory to complete active space Hamiltonians. With this, it was proven that π radicals of bowtie nanographenes sit on BP (Benzo[cd]Pyrene) moieties driven by their local aromaticity, a purely chemical concept, which confers global stability to the whole structure. Besides, a novel Pauli energy densities analysis provided a visual intuitive explanation for this preference. These findings allow envisioning that analogous bowtie nanographenes with arbitrary polyradical character are not only feasible at the molecular scale but will share Clar Goblet's peculiar properties. 相似文献