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41.
A simple method to generate an effective electron-ion interaction pseudopotential from the energy wave number characteristic
obtained by first principles calculations has been suggested. This effective potential has been used, in third order perturbation,
to study the effect of three-body forces on the lattice dynamics of noble metals. It is found that three-body forces, in these
metals, do play an important role. The inclusion of such three-body forces appreciably improves the agreement between the
experimental and theoretical phonon dispersion curves. 相似文献
42.
An ultra-low hydrolysis sol-gel route for titanosilicate xerogels and their characterization 总被引:1,自引:0,他引:1
Toney Fernandez Gijo Jose Siby Mathew Rejikumar PR Unnikrishnan NV 《Journal of Sol-Gel Science and Technology》2007,41(2):163-168
In this work TiO2-SiO2 xerogels were prepared through an ultra low hydrolysis method using titanium and silicon alkoxide. The samples were heat
treated to 500°C. The xerogels were characterized using TGA/DTA, FTIR, XRD and TEM. The samples showed the formation of Si–O–Ti
bridges by its characteristic vibration within 925–960 cm−1 range. Si–O–Si bond angles were calculated using the central force network model. The TiO2 in all the samples crystallized on heat treatment to 500°C. The crystallite size calculated using the Scherer formula from
the XRD was verified from the Transmission Electron Micrograph. Samples heat treated to 350°C remained amorphous and hence
could be used as hosts for biomaterials and organic optical materials. 相似文献
43.
Rezazadeh-Kalehbasti S. Liu L. W. Maris H. J. Guduru P. R. 《Experimental Mechanics》2019,59(5):681-689
Experimental Mechanics - Studying the kinetics of phase transformation and phase boundary propagation during initial lithiation of silicon electrodes in lithium ion batteries is relevant to... 相似文献
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45.
A total synthesis of glypetelotine, the first sulphur-containing indole alkaloid from the leaf extracts of Glycosmis petelotii collected in the north of Vietnam, was described from indole through 6 steps. The structure of the glypetelotine was confirmed by IR, 1H NMR, 13C NMR and MS analysis. The spectral data of synthetic compound was identical with those of natural compound. 相似文献
46.
Yan Wang Ming Lu Xu Hui Zi Jin Jian Jun Fu Xiao Jia Hu Jiang Jiang Qin Shi Kai Yan Yun Heng Shen Wei Dong Zhang 《中国化学快报》2009,20(5):586-588
A new nor-sesquiterpene lactone ainsliatone A (1) was isolated from the aerial parts of A insliaea fulvioides.Its structure was established by the basis of spectroscopic methods and single-crystal X-ray diffraction analysis. 相似文献
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48.
HELMKE U.; PR?TZEL-WOLTERS D.; SCHMID S. 《IMA Journal of Mathematical Control and Information》1991,8(4):397-408
In this paper we introduce the concept of an adaptive synchronizationcontroller. Synchronization is modelled as an adaptive trackingproblem for families of interconnected linear systems. Stabilizationand tracking results are obtained for minimum-phase systems. 相似文献
49.
Nagaswetha PentyalaRamesh K. Guduru Elizabeth M. ShnerpunasPravansu S. Mohanty 《Applied Surface Science》2011,257(15):6850-6857
Indium oxide (In2O3) has been widely used in sensors, solar cells and microelectronics. There are several techniques available for making In2O3 such as vapor, electrochemical and atomic layer deposition, which are not only expensive but also time consuming processes. In this study, an inexpensive and straightforward synthesis approach is being presented to make micron/submicron size single crystals as well as nanostructured adherent coatings of In2O3 using Indium Chloride (InCl3) powders and InCl3 solution precursor. Both the powders and the solution precursor were calcined in a furnace to obtain the crystals; however, the liquid precursor was also treated by a DC plasma jet to obtain the nanostructured coatings. The phase transformations during thermal decomposition of InCl3 powders and solution precursor were investigated via differential scanning calorimetry studies. The phase structure and crystallinity of the crystals and coatings were confirmed by X-ray diffraction. Microstructural characterization of the crystals and coatings was done by scanning electron microscopy, transmission electron microscopy and atomic force microscopy techniques. Size of the crystals was observed to be dependent on the heating schemes adapted during calcination. Solution precursor plasma sprayed In2O3 coatings showed porosity and ultrafine particulates with grain size ranging between 10 and 75 nm. Resistivity was determined to be ∼0.553 ± 0.337 kΩ cm. Optical transmittance of In2O3 coatings was ∼60-78% in the visible region and it was observed to decrease with increasing the number passes or the thickness of the coatings. Based on the optical transmission data, direct band gap of 3.57 eV was determined. 相似文献
50.
A new coumadn was obtained from the stems and roots of Wikstroemia indica (L.) C.A.Mey.Its structure was elucidated as methyl 3-(2-hydroxy-4-(7-hydroxy-6-methoxy-2-oxo-2H-chromen-3-yloxy) phenyl) propanoate by spectroscopic methods. 相似文献