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981.
The existence and semiclassical limit of the solution to one-dimensional transient quantum drift-diffusion model in semiconductor
simulation are discussed. Besides the proof of existence of the weak solution, it is also obtained that the semiclassical
limit of this solution solves the classical drift-diffusion model. The key estimates rest on the entropy inequalities derived
from separation of quantum quasi-Fermi level. 相似文献
982.
A three-dimensional Ising-like model doped with anti-ferromagnetic (AFM) bonds is proposed to investigate the magnetic properties
of a doped triangular spin-chain system by using a Monte-Carlo simulation. The simulated results indicate that a steplike
magnetization behavior is very sensitive to the concentration of AFM bonds. A low concentration of AFM bonds can suppress
the stepwise behavior considerably, in accordance with doping experiments on Ca3Co2O6. The analysis of spin snapshots demonstrates that the AFM bond doping not only breaks the ferromagnetic ordered linear spin
chains along the hexagonal c-axis but also has a great influence upon the spin configuration in the ab-plane.
相似文献
983.
984.
985.
Cheng Lu ZHANG Xiao Lei ZHU Ying Ge MA Li Wei ZOU 《中国化学快报》2006,17(2):163-164
12-Hydroxy-13-methylpodocarpa-9, 11, 13-trien-3-one 9 was isolated from the twigs ofCroton salutaris1. Many diterpenes exhibit significant bioactivities, such as antibac-terial and antitumour and 9 has a rare structure. In order to study the relationshipb… 相似文献
986.
This paper presents a variational inequality (VI) approach to the problem of minimizing a sum of p-norms. First the original problem is reformulated as an equivalent linear VI. Then an improved extra-gradient method is presented
to solve the linear VI. Applications to the problem of p-norm Steiner Minimum Trees (SMT) shows that the proposed method is effective. Comparison with the general extra-gradient
method is also provided to show the improvements of the new method. 相似文献
987.
Xiujie Li Weiping Zhang Shenglin Liu Xiuwen Han Longya Xu Xinhe Bao 《Journal of molecular catalysis. A, Chemical》2006,250(1-2):94-99
The interfacial interaction of Mo species with the HBeta zeolite was studied by multinuclear MAS NMR, XRD and N2 adsorption. As proved by the quantitative 27Al MAS NMR, this interaction is so strong as to dealuminate the framework of HBeta, and leads to a new peak appearing at −14 ppm, which indicates the formation of crystalline Al2(MoO4)3. This can also be detected by XRD measurements when the Mo loading is as high as 9.0 wt.%. The corresponding quantitative 29Si and 1H MAS NMR spectra show that the amount of silanols and Brønsted acidic sites decrease obviously with increasing Mo loading. This also reveals an interaction between Mo species and HBeta support through an oxygen bridge resulting from condensation with the hydroxyls on the support. At higher Mo loadings, the interaction is so strong that it results in an extraction of aluminum from the zeolite framework, and subsequently appearance of Al2(MoO4)3 and loss of Brønsted acidic sites. These can be correlated to the low catalytic activity of Mo/HBeta in metathesis of ethylene and 2-butylene to propylene. 相似文献
988.
Li‐Ming Tang Yan‐Guo Li Wei‐Ping Ye Yue‐Sheng Li 《Journal of polymer science. Part A, Polymer chemistry》2006,44(20):5846-5854
Ethylene–propylene copolymerization, using [(Ph)NC(R2)CHC(R1)O]2TiCl2 (R1 = CF3, Ph, or t‐Bu; R2 = CH3 or CF3) titanium complexes activated with modified methylaluminoxane as a cocatalyst, was investigated. High‐molecular‐weight ethylene–propylene copolymers with relatively narrow molecular weight distributions and a broad range of chemical compositions were obtained. Substituents R1 and R2 influenced the copolymerization behavior, including the copolymerization activity, methylene sequence distribution, molecular weight, and polydispersity. With small steric hindrance at R1 and R2, one complex (R1 = CF3; R2 = CH3) displayed high catalytic activity and produced copolymers with high propylene incorporation but low molecular weight. The microstructures of the copolymers were analyzed with 13C NMR to determine the methylene sequence distribution and number‐average sequence lengths of uninterrupted methylene carbons. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 5846–5854, 2006 相似文献
989.
Z. X. Li L. Q. Lin W. M. Zhang T. Wu J. L. Pu 《Journal of polymer science. Part A, Polymer chemistry》2006,44(3):1291-1298
A series of new polyimides were prepared via the polycondensation of (3‐amino‐2,4,6‐trimethylphenyl)‐(3′‐aminophenyl)methanone and aromatic dianhydrides, that is, 3,3′,4,4′‐biphenyltetracarboxylic dianhydride (BPDA), 4,4′‐oxydiphthalic anhydride, 3,3′,4,4′‐benzophenone tetracarboxylic dianhydride, and 2,2′‐bis(3,4‐dicarboxyphenyl) hexafluoropropane dianhydride. The structures of the polyimides were characterized by Fourier transform infrared and NMR measurements. The properties were evaluated by solubility tests, ultraviolet–visible analysis, differential scanning calorimetry, and thermogravimetric analysis. The two different meta‐position‐located amino groups with respect to the carbonyl bridge in the diamine monomer provided it with an unsymmetrical structure. This led to a restriction on the close packing of the resulting polymer chains and reduced interchain interactions, which contributed to the solubility increase. All the polyimides except that derived from BPDA had good solubility in strong aprotic solvents, such as N‐methyl‐2‐pyrrolidinone, N,N′‐dimethylacetamide, N,N‐dimethylformamide, and dimethyl sulfone, and in common organic solvents, such as cyclohexanone and chloroform. In addition, these polyimides exhibited high glass‐transition values and excellent thermal properties, with an initial thermal decomposition temperature above 470 °C and glass‐transition temperatures in the range of 280–320 °C. The polyimide films also exhibited good transparency in the visible‐light region, with transmittance higher than 80% at 450 nm and a cutoff wavelength lower than 370 nm. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 1291–1298, 2006 相似文献
990.
Sheng‐Hsiung Yang Hsing‐Chuan Li Chien‐Kai Chen Chain‐Shu Hsu 《Journal of polymer science. Part A, Polymer chemistry》2006,44(23):6738-6749
Two series of poly(2,3‐diphenyl‐1,4‐phenylenevinylene) (DP‐PPV) derivatives containing multiple bulky substituents were synthesized. In the first series, two different groups were incorporated on C‐5,6 positions of the phenylene moiety to increase steric hindrance and to obtain blue‐shifted emissions. In the second series, bulky fluorenyl groups with two hexyl chains on the C‐9 position were introduced on two phenyl pendants to increase the solubility as well as steric hindrance to prevent close packing of the main chain. Polymers with high molecular weights and fine‐tuned electro‐optical properties were obtained by controlling the feed ratio of different monomers during polymerization. The maximum photoluminescent emissions of the thin films are located between 384 and 541 nm. Cyclic voltammetric analysis reveals that the band gaps of these light‐emitting materials are in the range from 2.4 to 3.3 eV. A double‐layer EL device with the configuration of ITO/PEDOT/P4/Ca/Al emitted pure green light with CIE′1931 at (0.24, 0.5). Using copolymer P6 as the emissive layer, the maximum luminescence and current efficiency were both improved when compared with the homopolymer P4. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 6738–6749, 2006 相似文献