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991.
运用基于密度泛函理论的第一性原理,研究掺杂W、Mo在镍基高温合金的沉淀强化γ′相分配差异的因素.通过VASP软件,建立γ′-Ni3(Al3/8Ti5/8)相的体系模型,选取非等效位置的不同阵点,计算W、Mo原子在不同位置的替代形成能,分析W、Mo在γ′相的占位倾向;计算掺杂W、Mo原子前后,界面的吸附能,研究掺杂W、Mo对相界的影响;计算W、Mo原子从γ向γ′相扩散,获得W、Mo扩散的路径与势垒.结果表明,W、Mo的掺杂优先替代γ′-Ni3(Al3/8Ti5/8)相5号Al原子,并提高相界的稳定性;分配的差异是W相比于Mo替代γ′相位置的Al原子更易形成空位,而γ相中的Ni原子较难形成空位,且逆扩散所需能量更多导致的. 相似文献
992.
Back Cover: Cofactor‐Free Light‐Driven Whole‐Cell Cytochrome P450 Catalysis (Angew. Chem. Int. Ed. 3/2015) 下载免费PDF全文
993.
Guangchen Sun Yu-Chen Wei Dr. Zhiyun Zhang Jia-An Lin Zong-Ying Liu Dr. Wei Chen Prof. Jianhua Su Prof. Pi-Tai Chou Prof. He Tian 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(42):18770-18777
Herein, we introduce the cyclic 8π-electron (C8π) molecule N,N′-diaryl-dihydrodibenzo[a,c]phenazine ( DPAC ) as a dual-functional donor to establish a series of new donor–linker–acceptor (D–L–A) dyads DLA1 – DLA5 . The excited-state bent-to-planar dynamics of DPAC regulate the energy gap of the donor, while the acceptors A1 – A5 are endowed with different energy gaps and HOMO/LUMO levels. As a result, the rate and efficiency of the excited-state electron transfer vs. energy transfer can be finely harnessed, which is verified via steady-state spectroscopy and time-resolved emission measurements. This comprehensive approach demonstrates, for the first time, the manifold of excited-state properties governed by bifunctional donor-based D–L–A dyads, including bent-to-planar, photoinduced electron transfer (PET) from excited donor to acceptor (oxidative-PET), fluorescence resonance energy transfer (FRET), bent-to-planar followed by electron transfer (PFET), and PET from donor to excited acceptor (reductive-PET). 相似文献
994.
995.
Ting Wang Yan-Qiang Wang Yan-Lei Su Zhong-Yi Jiang 《Journal of membrane science》2006,280(1-2):343-350
A new random copolymer was synthesized by reacting hydrophilic N,N-dimethyl-N-methacryloxyethyl-N-(3-sulfopropyl) (DMMSA) with hydrophobic butyl methacrylate (BMA) through a conventional radical polymerization. The as-prepared sulfobetaine copolymer (DMMSA–BMA) was blended with polyethersulfone (PES) to fabricate antifouling ultrafiltration membrane for BSA separation. The X-ray photoelectron spectroscopy analysis of blend membranes revealed concentration of sulfobetaine groups at the membrane surfaces that endowed the membrane with higher hydrophilicity and better antifouling property. For the membrane with 8.0 wt% DMMSA–BMA copolymer concentration (No. 5), irreversible fouling has been considerably reduced and the flux recovery rate of the blend membrane reached as high as 82.8%. Furthermore, the blend membrane could effectively resist BSA fouling in a wide pH range from 4.0 to 8.0. 相似文献
996.
All-polymer electrostrictive soft films were developed for the first time by depositing conductive polymer (polypyrrole) directly on both sides of solution-cast electrostrictive polyurethane elastomer films. The final composite films are flexible with strong adhesion between the polyurethane film and the conductive polymer electrode. The conductivity (sheet resistivity ∼1000 Ω/□), of the polymer electrode is appropriate for its intended use. The compatible interface between the polypyrrole electrode polymer and the electrostrictive polyurethane significantly improves the acoustic and optical transparency of these composite films, compared with using a metal electrode film. The all-polymer films also exhibit comparable dielectric properties to gold-electroded polyurethane films in the temperature range from −40°C to +80°C. The temperature range covers the soft segment glass transition temperature of the polyurethane elastomers, which is about −20°C. The films also show large electric field induced strain responses which are dependent on film thickness and measurement frequency. The electrostrictive characteristics in the all-polymer films show similarities to those of the films with gold electrodes under identical measurement conditions. © 1998 John Wiley & Sons, Ltd. 相似文献
997.
David E. Bergbreiter Haw-Lih Su Hisao Koizumi Jianhua Tian 《Journal of organometallic chemistry》2011,696(6):1272-6917
This paper describes how the nonpolar polymer polyisobutylene (PIB) can be used as a handle to prepare PIB-bound NHC ligands that are soluble in monophasic mixtures of mixed solvents but phase separable when such solvent systems are perturbed to be biphasic. The results here show that such PIB-bound NHC ligands can be used to synthesize useful palladium catalysts. In this paper, both PIB-bound analogs of an N,N′-bis(2,6-diisopropylphenyl) heterocyclic carbene and simpler N,N′-dialkyl heterocyclic carbene ligand were prepared and were successfully used to form palladium cross-coupling catalysts. The reactivity, recycling and reusability of these catalysts has been examined. 相似文献
998.
Amol Maruti Jadhav Sandip Gangadhar Balwe Jong Su Kim Kwon Taek Lim Yeon Tae Jeong 《Tetrahedron letters》2019,60(7):560-565
An efficient, inexpensive and environmentally friendly synthesis of novel 3-amino-2-benzoyl-1-aryl-1H-pyrazolo[1,2-b]phthalazine-5,10-dione and 3-amino-2-benzoyl-1-aryl-1H-pyrazolo[1,2-a]pyridazine-5,8-dione derivatives has been developed via one-pot three-component reaction of phthalhydrazide or maleic hydrazide, aldehydes and arylacetonitrile in the presence of catalytic amount of InCl3 as a Lewis acid catalyst under solvent-free conditions. The most important features of the present protocol are mild reaction conditions, short reaction times, high yields, and a wide range of functional group tolerance. 相似文献
999.
Hou Weijian Yu Tongxi Su Xianyue Department of Mechanics Peking University Beijing P. R. China Department of Mechanical Engineering UMIST Manchester M QD UK 《Acta Mechanica Solida Sinica》1995,8(1):32-44
A lumped masses-springs model is proposed to analyze the dynamicresponse of an elastic-plastic cantilever beam resulting from impact. The numericalresults are in good agreement with those by finite-element approaches. The simplifiedmodel can catch the most essential features of elastic-plastic response of beams; inparticular, it demonstrates the effect of elastic deformation on the distribution ofbending moment and energy dissipation, and provides valuable quatitative results. 相似文献
1000.
Kim DE Kim IS Ratovelomanana-Vidal V Genêt JP Jeong N 《The Journal of organic chemistry》2008,73(20):7985-7989
An efficient asymmetric PKR mediated by Rh(I) catalyst at ambient temperature was developed. The reaction utilizing a Rh(I) catalyst bearing a (R)-3,5-diMeC4H4-BINAP ligand at 18-20 degrees C under a reduced partial pressure of CO (0.1 atm) provided PKR products in high chemical yield as well as high enantioselectivity. 相似文献