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排序方式: 共有561条查询结果,搜索用时 15 毫秒
1.
Numerical Algorithms - In this paper, we study a fast linearized numerical method for solving nonlinear time-fractional diffusion equations. A new weighted method is proposed to construct... 相似文献
2.
Weiyi Li Geng Leng Caiqin Li Yajing Lyu 《International journal of quantum chemistry》2020,120(8):e26150
The mechanisms of CO2 coupling with the propargylic alcohol using alkali carbonates M2CO3 (M = Li, Na, K, Cs) have been investigated by means of density functional theory calculations. The calculations reveal that the target product tetronic acid (TA) is yielded through two stages: (a) the formation of the α-alkylidene cyclic carbonate (αACC) intermediate via Cs2CO3-mediated carboxylative cyclization of the propargylic alcohol with CO2, and (b) the conversion of the αACC intermediate with Cs2CO3 to produce the cesium salt of the TA. Since the overall kinetic barriers for the two stages are comparable and affordable, the excellent chemoselectivity to the TA should be primarily originated from the high thermodynamic stability of the cesium salt of the TA. Moreover, relative to the TA, the possibility to yield the by-product acyclic carbonate can be excluded due to the both kinetics and thermodynamic inferiority. This result is different from the organic base-mediated reaction. Alternatively, our calculations predict that CsHCO3 together generated with the cesium salt of the TA might also be an available mediating reagent for the incorporation of CO2 with the propargylic alcohol. Compared to other alkali carbonates M2CO3 (M = Li, Na, K), the stronger basicity of Cs2CO3 and the lower ionic potential of cesium ion can raise the effective concentration of the αACC intermediate, and thus the conversion of the αACC intermediate into the cesium salt of the TA can be achieved with high yield. 相似文献
3.
Xinjiang Chen Goh Matsuo Bunsho Ohtani Kaoru Tsujii 《Journal of polymer science. Part A, Polymer chemistry》2007,45(21):4891-4900
A racemic amphiphilic monomer, n‐dodecyl glyceryl itaconate (DGI), forms bilayer membranes in water in the presence of small amount of ionic cosurfactant and shows iridescent color. A chiral DGI, S‐DGI, also shows an iridescent property, but with a rather red shift in the color, which can be ascribed to the increased packing density of the monomer in the bilayer membranes. Chrial DGI has a more compact packing density than racemic one owing to closer distance between the monomer molecules; the conversion rate, however, is slower than that of racemic one when H2O2 is used as an initiator. When the initiator is changed to an amphiphilic one, 4‐(2‐hydroxyethoxy) phenyl‐(2‐hydroxy‐2‐propyl) ketone (Irgacure 2959), the chiral DGI shows even a little faster conversion rate than that of racemic one. The NMR chemical shift results of protons in benzene ring show that the molecules of Irgacure 2959 insert into the bilayer membranes. The molecular weights of the corresponding polymers prove that the initiation by H2O2 is restricted compared to that by Irgacure 2959. It is concluded that the decelerated polymerization behavior of chiral DGI initiated by H2O2 is a result of limited diffusion of the initiator into the lamellar bilayer structures. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 4891–4900, 2007 相似文献
4.
A novel body-tied silicon-on-insulator(SOI) n-channel metal-oxide-semiconductor field-effect transistor with grounded body electrode named GBSOI nMOSFET has been developed by wafer bonding and etch-back technology. It has no floating body effect such as kink phenomena on the drain current curves, single-transistor latch and drain current overshoot inherent in a normal SOI device with floating body. We have characterized the interface trap density, kink phenomena on the drain current (IDS-VDS) curves, substrate resistance effect on the IDS-VDS curves, subthreshold current characteristics and single transistor latch of these transistors. We have confirmed that the GBSOI structure is suitable for high-speed and low-voltage VLSI circuits. 相似文献
5.
PbO~2纳米粉体的固相合成及其对MnO~2电极材料的改性作用 总被引:17,自引:1,他引:17
利用固相氧化反应制备了PbO~2纳米粉体样品,借助XRD,TEM以及循环伏安测试对其性质进行了表征。同时,对反应条件的选择进行了讨论。将所得样品用于改性MnO~2电极,恒流放电测试结果表明,样品掺杂量在1.25%~5.00%间对MnO~2有良好的改性效果,可使改性MnO~2的放电容量得到极大提高。循环伏安测试结果表明,铅的掺入改变了MnO~2的放电机理。在循环扫描过程中,掺杂物与MnO~2均不再以单纯氧化物的形式存在,而是形成了一系列Pb(X)(X=0,Ⅱ)Mn(Y)(Y=Ⅳ,Ⅲ,Ⅱ)复合物的共氧化与共还原,抑制了电化学惰性物质Mn~3O~4的生成和积累,从而有望改善MnO~2的可充性能。纳米PbO~2与常粒径PbO~2与常粒径PbO~2(标记为S)对MnO~2的改性机理类似。但前者对MnO~2的改性效果明显优于后者,当恒流放电至-1.0V时,其放电容量较S样改性MnO~2的放电容量平均高出约30%。 相似文献
6.
A general method has been proposed for synthesizing 3-(3-acetyl-5-aroyl-1,3,4-oxadiazolyl-2)-chromones that has been based on conversion of 3-formylchromones to acylhydrazones and of theacylhydrazones into the heterocyclic chromones. 相似文献
7.
Rapid Synthesis of Lead Oxide Nanorods by One-step Solid-state Chemical Reaction at Room Temperature
A simple and facile method was reported to synthesize lead oxide nanorods. Nanorods of lead oxide were obtained directly from grinding solid metal salt and sodium hydroxide in agate mortar with the assistance of a suitable nonionic surfactant in only one step, which is different from the result of hydroxide in solution. The product has been characterized by XRD, TEM and SEM. The formation mechanism of rod-like morphology is discussed and the surfactant plays an important soft-template role in modifying the interface of solid-state reaction and according process of rod-formation. 相似文献
8.
Ruijia Zhang Zengqi Huang Weipeng Chen Benzheng Lyu Hong Zhang Xinjun He Xiaotian Hu Yanlin Song Wallace C. H. Choy 《Advanced functional materials》2023,33(5):2210063
Advancing hole transport layers (HTL) to realize large-area, flexible, and high-performance perovskite solar cells (PSCs) is one of the most challenging issues for its commercialization. Here, a self-assembled gradient Ti3C2Tx MXene incorporated PEDOT:PSS HTL is demonstrated to achieve high-performance large-area PSCs by establishing half-caramelization-based glucose-induced MXene redistribution. Through this process, the Ti3C2Tx MXene nanosheets are spontaneously dispersed and redistributed at the top region of HTL to form the unique gradient distribution structure composed of MXene:Glucose:PEDOT:PSS (MG-PEDOT). These results show that the MG-PEDOT HTL not only offers favorable energy level alignment and efficient charge extraction, but also improves the film quality of perovskite layer featuring enlarged grain size, lower trap density, and longer carrier lifetime. Consequently, the power conversion efficiency (PCE) of the flexible device based on MG-PEDOT HTL is increased by 36% compared to that of pristine PEDOT:PSS HTL. Meanwhile, the flexible perovskite solar minimodule (15 cm2 area) using MG-PEDOT HTL achieve a PCE of 17.06%. The encapsulated modules show remarkable long-term storage stability at 85 °C in ambient air (≈90% efficiency retention after 1200 h) and enhanced operational lifetime (≈90% efficiency retention after 200 h). This new approach shows a promising future of the self-assembled HTLs for developing optoelectronic devices. 相似文献
9.
Fenglei Lyu Bingyun Ma Xulan Xie Daqi Song Yuebin Lian Hao Yang Wei Hua Hao Sun Jun Zhong Zhao Deng Tao Cheng Yang Peng 《Advanced functional materials》2023,33(26):2214609
Cobalt phthalocyanine (CoPc) anchored on heterogeneous scaffold has drawn great attention as promising electrocatalyst for carbon dioxide reduction reaction (CO2RR), but the molecule/substrate interaction is still pending for clarification and optimization to maximize the reaction kinetics. Herein, a CO2RR catalyst is fabricated by affixing CoPc onto the Mg(OH)2 substrate primed with conductive carbon, demonstrating an ultra-low overpotential of 0.31 ± 0.03 V at 100 mA cm−2 and high faradaic efficiency of >95% at a wide current density range for CO production, as well as a heavy-duty operation at 100 mA cm−2 for more than 50 h in a membrane electrode assembly. Mechanistic investigations employing in situ Raman and attenuated total reflection surface-enhanced infrared absorption spectroscopy unravel that Mg(OH)2 plays a pivotal role to enhance the CO2RR kinetics by facilitating the first-step electron transfer to form anionic *CO2− intermediates. DFT calculations further elucidate that introducing Lewis acid sites help to polarize CO2 molecules absorbed at the metal centers of CoPc and consequently lower the activation barrier. This work signifies the tailoring of catalyst-support interface at molecular level for enhancing the turnover rate of CO2RR. 相似文献
10.
Bolun Peng Quanqian Lyu Miaomiao Li Shuo Du Jintao Zhu Lianbin Zhang 《Advanced functional materials》2023,33(18):2214045
Solar steam generation (SSG) through hydrogel-based evaporators has shown great promise for freshwater production. However, developing hydrogel-based evaporators with stable SSG performance in high-salinity brines remains challenging. Herein, phase-separated polyzwitterionic hydrogel-based evaporators are presented with sponge-like structures comprising interconnected pores for stable SSG performance, which are fabricated by photopolymerization of sulfobetaine methacrylate (SBMA) in water-dimethyl sulfoxide (DMSO) mixed solvents. It is shown that driven by competitive adsorption, the structures of the resulting poly(sulfobetaine methacrylate) (PSBMA) hydrogels can be readily tuned by the volume ratio of DMSO to achieve phase separation. The optimized phase-separated PSBMA hydrogels, combining the unique anti-polyelectrolyte effects of polyzwitterionic hydrogels, demonstrate a rapid water transport capability in brines. After introducing photothermal polypyrrole particles on the surface of the phase-separated PSBMA hydrogel evaporators, a stable water evaporation rate of ≈2.024 kg m−2 h−1 and high solar-to-vapor efficiency of ≈97.5% in a 3.5 wt.% brine are obtained under simulated solar light irradiation (1.0 kW m−2). Surprisingly, the evaporation rates remain stable even under high-intensity solar irradiation (2.0 kW m−2). It is anticipated that the polyzwitterionic hydrogel evaporators with sponge-like porous structures will contribute to developing SSG technology for high-salinity seawater applications. 相似文献