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41.
    
The pentakis ethylenediammonium bis undecachlorodiantimonate(III) tetrahydrate salt is monoclinic with the following unit cell dimensions:a=16.271(5) Å,b=13.004(4) Å,c=13.932(4) Å, β=111.72(2)°, space groupP21/c withZ=2. The structure was solved by Patterson methods and refined to a finalR value of 0.023 for 4435 reflections withF 0>4σ(F 0). The structure shows a layer arrangement perpendicular to thea axis: planes of the [Sb2Cl11]5− bioctahedra alternate with planes of [NH3(CH2)2NH3]2+ dications. The [Sb2Cl11]5− bioctahedra are connected through O−H...Cl hydrogen bonds, such that infinite chains of composition [Sb2Cl11(H2O]n 5n− are formed in the structure, parallel to the twofold axis. These chains are themselves interconnected by means of N−H...Cl and O−H...Cl bonds originating from the [NH3(CH2)2NH3]2+ entities and the water molecules, respectively, and form a threedimensional network.  相似文献   
42.
Various sectors are likely to carry a set of emerging applications while targeting a reliable communication with low latency transmission. To address this issue, upon a spectrally‐efficient transmission, this paper investigates the performance of a 1 full‐dulpex relay system and considers for that purpose, 2 basic relaying schemes, namely, the symbol‐by‐symbol transmission, i.e., amplify‐and‐forward and the block‐by‐block transmission, i.e., selective decode‐and‐forward. The conducted analysis presents an exhaustive comparison, covering both schemes, over 2 different transmission modes, i.e., the noncombining mode where the best link, direct, or relay link is decoded and the signals combining mode, where direct and relay links are combined at the receiver side. While targeting latency purpose as a necessity, simulations show a refined results of performed comparisons and reveal that amplify‐and‐forward relaying scheme is more adapted to combining mode, whereas the selective decode‐and‐forward relaying scheme is more suitable for noncombining mode.  相似文献   
43.
The effect of pressure on the structural, elastic, and thermodynamic properties of SrTe in both B1 (rocksalt) and B2 (CsCl-type) phases and the SrTe1?x Ca x alloys with Ca dopant concentrations at x = 0.16667, 0.20, 0.33333, 0.42857, 0.44444 and 0.50 have been investigated using the two new gradient-corrected functional developed by Perdew, J.P.; Burke, K.; Ernzerhof named Density-Gradient Expansion for Exchange in Solids (PBEsol) and generalized Wu–Cohen (WC), in a significant range of pressure from 0 GPa to 30 GPa. The structure parameters, elastic stiffness constants c ij , the bulk modulus (B), Kleinman parameter (\( \xi \)), shear anisotropies A shear are also determined. Furthermore, as reported in this study, the aggregate elastic modulus (B, G, E), Poisson’s ratio (ν) and the Lame’s coefficients (λ) are estimated. On the other hand, the ductility, brittleness, longitudinal, transverse sound velocities and the Debye temperature ΘD(T) are also obtained. Importantly, our results are in reasonable agreement with the available theoretical and experimental data. To the best of our knowledge, this is the first study of the effect of the composition on the properties of the SrTe1?x Ca x alloys which may encourage other works for the confirmation of the reported results.  相似文献   
44.
Acetic acid can exist in many possible structural forms depending on its surrounding medium. A recently developed inverse problem methodology (J. Phys. Chem. B 2007, 111, 13064-13074) was utilized in order to elucidate acetic acid structures in a dilute nonpolar medium. In this regard, simultaneous and stopped-flow measurements of the bulk solution densities, refractive indices, relative permittivities, and IR spectra of acetic acid in toluene were performed at several different concentrations in a semibatch closed-loop experimental setup at 298.15 K and 0.1013 MPa. This combined IR spectroscopic and dielectric, density, and refractive index analysis was employed in order to distinguish acetic acid structures and to further determine the dipole moments of the monomer, cyclic dimer, and "lumped-sum" open dimers. The infrared spectra were first analyzed to provide qualitative understanding as well as quantitative estimates for each acetic acid species. Subsequently, the dipole moments of these species were calculated using a direct approach which was primarily based on response surface models. The present method allows the determination of individual dipole moments not only for the monomer but also for the cyclic dimer and the open dimer. The results obtained from this study experimentally show that the cyclic dimer with centrosymmetric structure has a dipole moment approximately 0 D. The results also suggest that the linear dimers are present as mixtures of linear dimers structures. The existence of the linear dimers mixture was also indicated by the experimental infrared analysis of the OH-stretching region (particularly for measurements in n-hexane as solvent) and comparison of these spectra with DFT predictions. Finally, the present methodology which incorporates simultaneous physicochemical and spectroscopic analysis is undoubtedly useful for physicochemical characterization for other nonisolatable solute species and self-associated structures in solution.  相似文献   
45.
In this contribution, combined triboelectric and piezoelectric generators (TPEG) with a sandwich structure of aluminum‐polydimethylsiloxane/polyvinylidene fluoride composite‐carbon (Al‐PPCF‐Carbon) are fabricated for the purpose of mechanical energy harvesting. Improved by the surface modification of PPCF with zinc oxide (ZnO) nanorods through a hydrothermal method, the TPEG generates an open‐circuit voltage (Voc) of ≈40 V, a short‐circuit current (Isc) of 0.28 μA with maximum power density of ≈70 mWm?2, and maximum conversion efficiency of 34.56%. Subsequently, in order to understand the transduction mechanism of the triboelectric and piezoelectric effects, analyses focusing on the potential composition ratio in the final output and the impact of ZnO interfacial nanostructure are carried out. The observed potential ratio between triboelectric and piezoelectric effects is 12.75:1 and the highest potential improvement by ZnO nanorods of 21.8 V is achieved by the TPEG fabricated with spacer. Finally, the relationships between the voltage, power density, conversion efficiency, and the external load resistances are also discussed. Overall, the fabricated TPEG is proved to be a simple and effective nanogenerator in mechanical energy conversion with enhanced output potential and conversion efficiency.  相似文献   
46.
Zinc oxide (ZnO) nanostructures have attracted much interest due to their potential applications in various fields including optoelectronics, glass industries, and solar cells. These compounds hold the promise of creating new materials that can advance energy technologies. In this work, a series of (ZnO)6 clusters with selenium and tellurium applied as substitutional impurities has been studied. The investigated structures have been produced through the doping of (ZnO)6 clusters by replacing an oxygen atom with a selenium or a tellurium atom at each time. The ground state geometric parameters of (ZnO)6 structures, containing selenium or tellurium atoms as substitutional impurities, were calculated using density functional theory (DFT) with B3LYP and LanL2DZ basis set. Excited state energies and absorption wavelengths were computed using time‐dependent‐DFT (TDDFT). For the calculation of emission wavelengths, Hartree–Fock configuration interaction singles (HF/CIS) has been used in order to perform the excited state geometry optimization. This work led to some important results that can be helpful for developing novel THz sensitive materials and imaging detectors that may be an alternative to x‐rays detectors for radiology as well as for the development of solar cells and electroluminescent diodes. Zinc oxide (ZnO) nanostructures have attracted growing interest due to their potential applications in many technological fields, including optoelectronics, the glass industry, and energy. The presence of impurities, in particular selenium and tellurium, in ZnO‐based clusters can affect their structural and spectroscopic properties. Some of these doped nanostructures have favorable Terahertz emission characteristics that make them good candidates for applications in biology and medicine.  相似文献   
47.
An easy synthetic protocol for the synthesis of biologically active benzimidazole, benzothiazole and benzoxazole derivatives has been demonstrated using a hybrid crystal NH3(CH2)4NH3SiF6 as a mild and efficient heterogeneous catalyst. Short reaction times, solvent-free conditions, good to excellent yields, easy reusability and use of an eco-friendly catalyst are some of the significant attributes of the present method.  相似文献   
48.
In this paper we introduce a new type of folding called equi-Gaussian curvature folding of connected Riemannian 2-manifolds. We prove that the composition and the cartesian product of such foldings is again an equi-Gaussian curvature folding. In case of equi-Gaussian curvature foldings, f: MP n , of an orientable surface M onto a polygon P n we prove that
((i))
((ii))
((iii))
and we generalize (iii) for #nT 2.  相似文献   
49.
50.
SrBi2-xHoxNb2O9 (0?≤?x?≤?0.5) ceramics were prepared through the conventional solid state route. The materials have been characterized by XRD, FTIR and SEM. All compounds were pure and well crystallized. In FTIR spectroscopy, the spectral patterns of the crystal structures of these polyphases are unique and smoothly different from each other. The grains were prone to become spherical with increasing x. Dielectric and electrical properties of these materials as a function of temperature at different frequencies have been carried out. The dielectric constant and dielectric loss were found to decrease with an increase of the holmium concentration at room temperature. Reaching up to x?=?0.4 and x?=?0.5, the diffusivity increases, leading to the occurrence of relaxor behavior. 20–30 at.% Ho doping on the Bi-site can fill up the oxygen vacancies and decrease the AC conductivity. However, at higher doping levels greater than 40% holmium oxide, the AC conductivity is found to increase.  相似文献   
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