用时间-边界跟踪模型确定抗蚀剂显影后的轮廓分布

文章提出了时间一边界跟踪模型的定义,阐述了用该模型确定抗蚀剂显影后的轮廓分布的方法,并给出了模拟计算结果.     

示差半微分循环伏安法研究琥珀酰胆碱在水/硝基苯界面的传递行为

研究了油/水界面电解的示差半微分循环伏安行为。在0.01mol/L LiCl(w)-0.01mol/L TBATCIPB(nb)体系“电位窗”比TBATPB(nb)向正方向扩展约50mV,残余电流基本消除,使“电位窗”内的平台向左右拓宽约50mV。算得界面电容约为16μF/cm~2。考察了琥珀酰胆碱离子在w/nb界面的传递伏安特性,结果与一般半微分循环伏安法相似。但峰形改善,检测限降低一个数量级(1×10~(-6)mol/L),相对标准偏差在5％以内,可用于定量测定琥珀酰胆碱。     

The weighted Herz-type Hardy spaces hK q α,p (ω1,ω2)

Let 1<q<∞, n(1−1/q)≤α<∞, 0<p<∞ and ω₁,ω₂ ɛA ₁(R ⁿ ) (the Muckenhoupt class). In this paper, the author introduce the weighted Herz-type Hardy spaces hk _q ^α,p (gw₁,ω₂) and present their atomic decomposition. Using the atomic decomposition, the author find out their dual spaces, establish the boundedness on these spaces of the pseudo-differential operators of order zero and show thatD(R ⁿ ), the class of C^∞(Rⁿ)-functions with compactly support, is dense inhK _q ^α,p (ω₁,ω₂) and there is a subsequence, which converges in distrbutional sense to some distribution ofhK _q ^α,p (ω₁,ω₂), of any bounded sequence inhK _q ^α,p (ω₁,ω₂). In addition, the author also set up the boundedness of some non-linear quantities in compensated compactness. Supported by the NECF and the NECF and the NNSF of China.     

Convergence Properties of a Self-adaptive Levenberg-Marquardt Algorithm Under Local Error Bound Condition

We propose a new self-adaptive Levenberg-Marquardt algorithm for the system of nonlinear equations F(x) = 0. The Levenberg-Marquardt parameter is chosen as the product of ‖F_k‖^δ with δ being a positive constant, and some function of the ratio between the actual reduction and predicted reduction of the merit function. Under the local error bound condition which is weaker than the nonsingularity, we show that the Levenberg-Marquardt method converges superlinearly to the solution for δ∈ (0, 1), while quadratically for δ∈ [1, 2]. Numerical results show that the new algorithm performs very well for the nonlinear equations with high rank deficiency. This work is supported by Chinese NSFC grants 10401023 and 10501013, Research Grants for Young Teachers of Shanghai Jiao Tong University, and E-Institute of Shanghai Municipal Education Commission, N. E03004.     

在Mo-Bi-Ce/SiO2催化剂上甲醇氧化制甲醛的Redox机理及其动力学

用外循环无梯度反应器研究了甲醇氧化制甲醛的动力学。动力学实验结果用二步骤Redox模型描述。动力学方程中的参数用线性最小二乘法估计。甲醇的反应级数m和氧的反应级数n与温度有关, m与n的和接近于1, 反应级数的变化可用Redox机理动力学解释。不同处理催化剂的XPS分析结果证实, 反应按Redox机理进行。     

Tuning the electrocatalytic activity of Pt nanoparticles on carbon nanotubes via surface functionalization

Polyelectrolytes with various characteristic functional groups as interlinkers to anchor Pt nanoparticles were used to functionalize carbon nanotubes (CNTs) as Pt electrocatalyst support. It was found that polyanions (poly(styrenesulfonic acid) (PSS), and poly(acrylic acid sodium) (PAA)) have a beneficial effect on methanol electrooxidation on Pt nanoparticles supported on carbon nanotubes via modifying their electronic structure through charge transfer from polyanions to Pt sites and supply of oxygen-containing species. The increased electron density around Pt sites by the charge transfer from polyanions would cause partial filling of Pt 5d-bands, resulting in the downshift of d-band center and weaker chemisorption with oxygen-containing species (e.g. CO_ad). The weakened chemisorption of CO on Pt nanoparticles would promote the methanol electrooxidation. On the contrary, polycations would have an opposite effect on the electronic structure and chemisorption properties of Pt nanoparticles.     

Photodissociation of Cycloketones by Ultraintense Femtosecond Laser Pulses

ThestudyofphotoionizationandphotodissociationprocessesinducedbyintensefemtosecondlaserpuIses(>lo"W/cm')withpolyatomicmoleculesbecomesofinterestbecausesomenewphenomenahavebeenobserved'-3.Sofar,mostoftheinvestigationsfocusontheexperimentalexplorationofphotoionizationprocesses'-'.Butthephotoionizationmechanismofpolyatomicmoleculesinanintensefslaserfieldisstillambiguous'.,.Incontrasttothephotoionizationprocesses,theunderstandingoffragmentationofmolecularionisevenpoorer.Corkumetal,'.,'reportedthef…     

Density functional study of the complete pathway for the Heck reaction with palladium diphosphines

The reaction mechanism for the complete catalytic cycle of the Heck reaction (between phenyl bromide, C₆H₅Br, and ethylene, C₂H₄, in the presence of the base, NEt₃ to form the product styrene, C₆H₅–C₂H₃), catalyzed by diphosphinopalladium complexes, Pd(PR₃)₂ {R = H, Me, Ph}, was investigated by using density functional theory (DFT). The relative free energies of the fully-optimized species in gas phase at 298.15 K and 1 atm were corrected for solvation in DMSO at 1 mol/L by using conductor-like polarizable continuum model (CPCM). The calculations indicate a four-step mechanism for the catalysis, including oxidative addition of C₆H₅Br, migratory insertion of C₆H₅ to C₂H₄, β-hydride transfer/olefin elimination of product, and catalyst regeneration by removal of HBr. Our calculations demonstrate that Pd π-complexes can be formed with phenyl bromide and ethylene before the oxidative addition occurs. Subsequently, various reaction paths were studied for the oxidative addition of phenyl bromide to palladium complexes, coordinated by phosphine(s) and/or ethylene. Interestingly, all pathways lead to palladium monophosphine as the active catalyst. Careful exploration was made on two possible pathways for the migratory insertion and β-hydride-transfer/olefin elimination: (1) the neutral path with bromide bound to Pd and (2) the cationic path with prior bromide ion dissociation. The neutral path is preferred to the cationic path, especially when the more bulky phosphines such as triphenylphosphine are involved.