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41.
Tsuchiya T Imai H Miyoshi S Glans PA Guo J Yamaguchi S 《Physical chemistry chemical physics : PCCP》2011,13(38):17013-17018
The electronic structure and modification of the local interatomic structure of a reactive sputtered amorphous tantalum oxide (a-TaO(x)) thin film with the variation of oxygen nonstoichiometry, x in a-TaO(x) have been investigated by X-ray absorption spectroscopy (XAS), X-ray photoemission spectroscopy (XPS), Raman scattering spectroscopy, and Rutherford back scattering spectroscopy. A parallel chemical shift of Ta4f(7/2) and O1s core levels observed with the variation of x indicates the Fermi level shift by reduction and oxidation in the framework of the rigid band model. Extended X-ray absorption fine structure (EXAFS) suggests both the increase of average coordination number of the first Ta-O shell in polyhedra and a considerable reduction of the average Ta-O bond length with the increase of x. The relative intensity of Raman shift peaks at 670 cm(-1) and 815 cm(-1), corresponding to Ta-O stretching of TaO(6) octahedra and TaO(5) probably with a pyramidal form, respectively, drastically changes between x = 2.47 to 1.86, suggesting the change in the predominant polyhedron from TaO(6) to TaO(5) with a modification in multiplicity of oxygen by the reorganization of the polyhedral network. 相似文献
42.
Matsuyama Kiyoshi Mishima Kenji Hayashi Ken-ichiro Matsuyama Hideto 《Journal of nanoparticle research》2003,5(1-2):87-95
A novel preparation method is reported for the microencapsulation of TiO2 nanoparticles by rapid expansion of supercritical solution with a nonsolvent. A suspension of TiO2 nanoparticles in carbon dioxide containing a cosolvent and dissolved polymer is sprayed through a nozzle to atmospheric pressure. After rapid expansion, polymer microspheres were obtained. The microspheres do not tend to agglomerate, since the pure cosolvent is a nonsolvent for the polymer. The structure and morphology of microspheres were investigated by SEM, TEM and XRD. The obtained polymer microspheres are microcapsules of TiO2 nanoparticles. The mean particle diameter and particle size distribution of microcapsules, could be controlled by changing the polymer concentration, pre-expansion pressure, temperature and injection distance. The polymer feed compositions are more effective than other factors on the control of particle size. 相似文献
43.
The phase diagrams of the CuGaS2-CuI and CuGaSe2-CuI pseudobinary systems are investigated. Both systems show eutectic behavior; liquids along the liquids curves for solute concentrations of more than 15 mol% are shown to be single phase and solids in equilibrium with the liquids are demonstrated to be CuGaS2 and CuGaSe2 chalcopyrite compounds. On the basis of the results, bulk crystals of CuGaS2 and CuGaSe2 are prepared from CuI solutions using the Bridgman technique. The photoluminescence spectra of these crystals are nearly the same as those of the crystals grown by iodine transport method. 相似文献
44.
Both the enantiomers of methyl 3-hydroxypentanoate were prepared by microbial asymmetric reduction of 3-oxopentanoic esters. Conversion of methyl 3-hydroxypentanoate to 4-hexanolide, the pheromone of Trogoderma glabrum, was achieved. 相似文献
45.
Masakazu Yoshikawa Hideto Yokoi Kohei Sanui Naoya Ogata 《Journal of polymer science. Part A, Polymer chemistry》1984,22(9):2159-2168
Separation of various alcohols and water through a membrane was carried out by means of a hydrogen-bonding interaction. A membrane obtained from poly(maleimide-co-acrylonitrile) was effective for a selective separation of water from aqueous alcohol solution by pervaporation technique. Spectroscopic analyses verified that this high selectivity was attributed to the hydrogen-bonding interaction between water and maleimide units in the membrane. 相似文献
46.
47.
Yamashita F Itoh T Hara H Hashida M 《Journal of chemical information and modeling》2006,46(3):1054-1059
It is a difficult task to recognize the trends in molecular physical properties relevant to a specific chemical class and find a way to optimize potential compounds. We present here a novel hierarchical data visualization technique, named "HeiankyoView", to visualize large-scale multidimensional chemical information. HeiankyoView represents hierarchically organized data objects by mapping leaf nodes as colored square icons and nonleaf nodes as rectangular borders. In this way, data objects can be expressed as equishaped icons without overlapping one another in the two-dimensional display space. HeiankyoView has been applied to visualize aqueous solubility data for 908 compounds collected from the published literature. When the results of a recursive partitioning analysis and hierarchical clustering analysis were visualized, the trends hidden in the solubility data could be effectively displayed as intuitively understandable visual images. Most interestingly, the data visualization technique, without any statistical computations, was able to assist us in extracting from such large-scale data meaningful information establishing that ClogP and the molecular weight are critical factors in determining aqueous solubility. Thus, HeiankyoView is a powerful tool to help us understand structure-activity relationships intuitively from a large-scale data set. 相似文献
48.
Hideto Asashiba 《Applied Categorical Structures》2013,21(6):811-836
Let $\mathbb{k}$ be a commutative ring and I a category. As a generalization of a $\mathbb{k}$ -category with a (pseudo) action of a group we consider a family of $\mathbb{k}$ -categories with a (pseudo, lax, or oplax) action of I, namely an oplax functor from I to the 2-category of small $\mathbb{k}$ -categories. We investigate derived equivalences of those oplax functors, and establish a Morita type theorem for them. This gives a base of investigations of derived equivalences of Grothendieck constructions of those oplax functors. 相似文献
49.
Asao Mizoguchi Shinji Ota Hideto Kanamori Yoshihiro Sumiyoshi Yasuki Endo 《Journal of Molecular Spectroscopy》2008,250(2):86-97
Pure rotational spectra of S235Cl2 and S235Cl37Cl have been observed using a Fourier-transform microwave spectrometer. An analysis of the hyperfine structure made by considering the nuclear spin statistics showed that S2Cl2 has C2symmetry, where the hyperfine splittings due to the two Cl nuclei were analyzed precisely. The nuclear quadrupole coupling constants including the off-diagonal (χab, χac, χbc) components and the nuclear spin–rotation interaction constants associated with the two Cl nuclei have been determined for the first time. We have shown that the nuclear quadrupole interaction plays an important role in the ortho–para mixing. 相似文献
50.
Boron complexes surrounded with organic cages were controlled precisely by a remote atom placed at the bottom of the cage. A replacement of the bottom tether atom (carbon or silicon) changed the characteristics (kinetic and thermodynamic factors) of boron complexes by geometric effects. A theoretical study shows that the bottom atoms also control eigenvalues of MO. This cage complex will provide a systematic template for fine-tuning of metal complexes to create various properties. 相似文献