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81.
Béchir Rezgui Abel Sibai Tetyana Nychyporuk Mustapha Lemiti Georges Brémond 《Journal of luminescence》2009,129(12):1744-582
Silicon nitride (SiNx) films were prepared with a gas mixture of SiH4 and NH3 on Si wafers using the plasma-enhanced chemical vapor deposition (PECVD) method. High-resolution transmission electron microscopy and infrared absorption have been used to reveal the existence of the Si quantum dots (Si QDs) and to determine the chemical composition of the silicon nitride layers. The optical properties of these structures were studied by photoluminescence (PL) spectroscopy and indicate that emission mechanisms are dominated by confined excitons within Si QDs. The peak position of PL could be controlled in the wavelength range from 1.5 to 2.2 eV by adjusting the flow rates of ammonia and silane gases. Absorbance spectra obtained in the transmission mode reveal optical absorption from Si QDs, which is in good correlation with PL properties. These results have implications for future nanomaterial deposition controlling and device applications. 相似文献
82.
We report a molecular dynamics study of the halide inclusion complexes X(-) subset L(4+) of a macrotricyclic tetrahedral receptor L(4+) built from four quaternary ammonium sites connected by six (CH(2))(n) chains. The hydrophilic/hydrophobic character of the complexes is investigated at a water/chloroform interface, represented explicitly and, despite their +3 charge and "spherical" shape, they are found to display amphiphilic behavior and to concentrate at the interface. The more lipophilic N-substituted CH(2)phi derivative, as well as less charged models are more surface active than the N-Me substituted host. In relation with the Hofmeister series, I(-) exo neutralizing counterions are compared with Cl(-) anions and are found to sit closer to the interface, which becomes more neutral. The "macrocyclic interfacial effect" is investigated by a comparison of L(4+) complexes with their acyclic counterparts. Finally, we address the question of anion binding selectivity by L(4+) and its L(1) (4+) and L(2) (4+) topological isomers. F(-) is too small for these three hosts, while I(-) is too big. According to free energy perturbation calculations, Cl(-) is preferred to Br(-), but somewhat more by L(1) (4+) than by L(4+). 相似文献
83.
Mihlbachle K Jupke A Seidel-Morgenstern A Schmidt-Traub H Guiochon G 《Journal of chromatography. A》2002,944(1-2):3-22
Previous studies of the simulated moving bed (SMB) process assume identical characteristics of all the columns incorporated in a given unit. Due to the practical impossibility to manufacture identical columns, numerical applications of the theory to modeling and optimization use for each of the needed column parameter the average value for the entire column set. In this study, the effects of these simplifications on the actual productivity of the SMB process are evaluated by making exact calculations, i.e., by taking the differences in the porosity values into account. We apply a revised set of separation conditions previously introduced and derived from the equilibrium theory. Earlier theoretical results are compared to experimental results obtained in the study of the enantiomeric separation of Tr?ger's base on Chiralpak AD. Due to the nonLangmuirian character of the adsorption isotherms of these two compounds on the packing material used, the separation area cannot be determined analytically. As an alternative, a reliable numerical algorithm was used to scan a wider region and to define the separation area. The form of this area depends on the applied porosity values. A UV detector and a laser polarimeter located at one node of the SMB monitor on-line the internal concentration profiles. Excellent agreement between the calculated and the experimentally determined concentration profiles was obtained under nonlinear conditions. The influence of column-to-column variations on the performance of the SMB process was found to be more significant under nonlinear than under linear conditions. 相似文献
84.
Florence Geneste Alec Moradpour Georges Dive Daniel Peeters Jacques Malthête Jean-Fran?ois Sadoc 《The Journal of organic chemistry》2002,67(2):605-607
The total number of possible retrosynthetic bisections of C(60) leads to nine different isometric C(30) fragments. These molecules include five chiral units, four of which derive from partitions corresponding to four distinct "Coupes du Roi". The energies, curvatures, and homodesmotic stabilization energies of the C(30) fragments are evaluated at the ab initio 6-31G level. 相似文献
85.
Jacques-Emile Dubois Georges Axiotis Emmanuel Bertounesque 《Tetrahedron letters》1985,26(36):4371-4372
The proposed cross aldolization of α-bromoketones with aldehydes in presence of Chromium (II) chloride is an excellent stereospecific reaction. One exception to the stereospecific orientation is reported. 相似文献
86.
Georges Dupuis 《Zeitschrift für Angewandte Mathematik und Physik (ZAMP)》1969,20(1):94-106
In this paper, we consider the problem of stability of one-dimensional structures and give a general formulation by means of the energy method. We propose then a numerical method of deriving the critical rate requiring eigenvalues of a sequence of small matrices rather than of a big one.
Cet article est le résumé d'une thèse présentée à l'Ecole Polytechnique de l'Université de Lausanne [17]. Je tiens à exprimer ma vive gratitude au ProfesseurCh. Blanc, directeur de l'Institut de Mathématiques Appliquées, dont les conseils et encouragements m'ont été très précieux. 相似文献
Cet article est le résumé d'une thèse présentée à l'Ecole Polytechnique de l'Université de Lausanne [17]. Je tiens à exprimer ma vive gratitude au ProfesseurCh. Blanc, directeur de l'Institut de Mathématiques Appliquées, dont les conseils et encouragements m'ont été très précieux. 相似文献
87.
Perhydrodioxazepines-1,5,3 are obtained by reacting a primary amine with a 1,2-diol and paraformaldehyde. 相似文献
88.
G. Le Flem R. Colmet J. Claverie P. Hagenmuller R. Georges 《Journal of Physics and Chemistry of Solids》1980,41(1):55-59
The magnetic properties of the antiferromagnetic Ca2MnO4?x solid solution (0?x?0,30) are essentially characterized by a weak ferromagnetism with a maximum value for x = 0,20. Spin canting results from the competition between the antiferromagnetic super-exchange couplings and the double exchange ferromagnetic interactions due to the presence of manganese in oxidation states + III and + IV. It seems independent of the site of fluorine in the framework. The variation of Weiss constant and ordering temperature withx is also discussed. Electrical conductivity results from a hopping mechanism between Mn3+ and Mn4+ ions. The electrical conductivity presents a maximum when x = 0.10, corresponding to an activation energy minimum. 相似文献
89.
90.