Charge-transfer effect at the interface of phthalocyanine-electrode contact studied by scanning tunneling spectroscopy

Scanning tunneling microscopy (STM) and spectroscopy (STS) are used in this work to investigate the charge-transfer effect at the molecule-substrate interface of substituted metal phthalocyanines. STS results revealed that the apparent energy gaps for both fluorinated phthalocyanines and unsubstituted phthalocyanines are essentially the same, which agree with the hybrid density functional calculations. More interestingly, there is a systematic shift of the energy level of valence bands, possibly as the result of charge-transfer effect at the molecule-substrate interface.     

Ab initio electron transport study of carbon and boron-nitrogen nanowires

We report first-principles calculations on the electrical transport properties of two kinds of one-dimensional nanowires: (a) a carbon nanowire (CNW) with alternating single and triple bonds and (b) a boron-nitrogen nanowire (BNNW) with equidistant bonds. We demonstrate the similarity and difference between the carbon nanowire and its boron-nitrogen analogue in the molecular orbital and transport properties, and then explore the potential innovations. The effects of molecular orbitals and nanowire-electrode coupling on the transport properties are analyzed. The cases of the nanowires sandwiched between both nanoscale and bulk electrodes are considered. It suggests that the characteristics of the transmission spectra and the current-voltage characteristics (I-V curves) are determined both by the electrodes and by the molecule as well as their coupling. In particular, the negative differential resistance (NDR) phenomenon is more apparent when the nanowires are positioned between two nanoscale electrodes. The tuning of the transport properties is also probed through the changes of nanowire-electrode separation and the inclusion of a gate voltage. These lead to dramatic variations in the equilibrium conductance, which can be understood from the shift and alignment of the molecular orbital relative to the Fermi level of the electrodes. In the analysis of the effects of nanowire-electrode separation, it shows that the equilibrium conductance has the same variation behavior as that of the projected density of states (PDOS) for CNW, while the localized molecular orbitals of BNNW result in its conductance varies differently from its PDOS. The different molecular orbital characteristics near the Fermi level of these two kinds of nanowires underlie their different transport properties.     

Readily available phosphine-phosphoramidite ligands for highly efficient Rh-catalyzed enantioselective hydrogenations

A new family of air- and moisture-stable phosphine-phosphoramidite ligands (PEAPhos) has been prepared from commercially available and inexpensive (S)-alpha-phenylethylamine through a two- or three-step transformation and successfully applied in the rhodium-catalyzed enantioselective hydrogenations of a variety of substrates, in which up to 99.9% ee was obtained for all of these kinds of substrates.     

A class of binary cyclic codes with five weights

In this paper, the dual code of the binary cyclic code of length 2 n-1 with three zeros α, α t 1 and α t 2 is proven to have five nonzero Hamming weights in the case that n 4 is even and t1 = 2 n/2 + 1, t2 = 2 n-1-2 n/2+1 + 1 or 2 n/2 + 3, where α is a primitive element of the finite field F 2 n . The dual code is a divisible code of level n/2+1, and its weight distribution is also completely determined. When n = 4, the dual code satisfies Ward's bound.     

Random strict convexity and random uniform convexity in random normed modules

Based on the analysis of stratification structure on random normed modules, we first present random strict convexity and random uniform convexity in random normed modules. Then, we establish their respective relations to classical strict and uniform convexity: in the process some known important results concerning strict convexity and uniform convexity of Lebesgue-Bochner function spaces can be obtained as a special case of our results. Further, we also give their important applications to the theory of random conjugate spaces as well as best approximation. Finally, we conclude this paper with some remarks showing that the study of geometry of random normed modules will also motivate the further study of geometry of probabilistic normed spaces.     

A Revisit to the Generalized Radiation Laws of a Kerr Nonlinear Blackbody

Based on the new development of nonextensive statistical mechanics (NSM), i.e., the so-called “optimal Lagrange multipliers” (OLM)approach, we revisit the generalized radiation laws of a Kerr nonlinear blackbody (KNB) and obtain the analytical expressions of generalized Planck radiation law and Stefan-Boltzmann law. In order to illustrate the influence of the parameter q on the two generalized radiation laws, we make a numerical calculation of the two laws under appropriate conditions. Besides, we restate our hypothesis to extend the theory of KNB to the whole Universe.     

Rheological Behavior of Blends of Poly(Phenylene Sulfide) with a Thermotropic Liquid Crystalline Aromatic Poly(Ether Ester)

A new type of thermotropic liquid crystalline aromatic poly(ether ester) (PEE) was prepared from 1,3-bis(4′-carboxyphenoxy)benzene, 1,4-diacetoxybenzene, and p-acetoxybenzoic acid through a melt transesterification process. The rheological behavior of blends of poly(phenylene sulfide) (PPS) with PEE was studied using a high-pressure capillary rheometer with the shear rate range of 50 s^?1 to 3000 s^?1. The results show that according to the range of shear rate, the flow curves of PEE/PPS blends can be divided into three zones: a first shear-thinning zone (n < 1, “n” represents non-Newtonian indexes), a shear-thickening zone (n > 1), and a second shear-thinning zone (n < 1), and the former two zones are more obvious with the increase of PEE content or elevated temperature. In the second shear-thinning zone, the PPS melt is close to a Newtonian fluid at high temperature and high shear rate; meanwhile the non-Newtonian behavior of the PPS melt at high temperature is enhanced with the addition of PEE. The apparent viscosity of PPS melts sharply dropped after adding PEE, especially at relatively low temperature and low shear rate. The curve of apparent viscosity vs. shear rate starts to flatten out after adding PEE, suggesting that the addition of PEE lowers the sensitivity of PPS to shear rate. As the content of PEE increases, the activation energy of the viscous flow, ΔE_η, of PPS decreases, which means that adding PEE weakens the temperature sensitivity of the apparent viscosity of the PPS melt. It can clearly be seen that the addition of PEE is beneficial to the processing of PPS.     

Graft Polymerization of Methyl Methacrylate- Acrylonitrile onto Poly(ethene-co-1-butene) and Its Toughening Effect on SAN Resin

Poly(ethene-co-1-butene)-graft-methyl methacrylate-acrylonitrile (PEB-g-MAN) was prepared by suspension grafting copolymerization of methyl methacrylate (MMA) and acrylonitrile(AN) onto PEB. PEB-g-MAN/SAN resin blends (ABMS) were prepared by blending PEB-g-MAN with styrene-acrylonitrile copolymer (SAN resin). The effects of AN/(MMA+AN) feed ratio (f_AN), PEB/(PEB+MMA+AN) feed ratio (f_PEB) and benzoyl peroxide (BPO) dosage on the monomer conversion ratio (CR), rubber's grafting ratio (GR), grafting efficiency (GE) of the copolymerization and the toughening effect of PEB-g-MAN on the SAN resin were investigated. FTIR quantitative analysis showed that when the weight percent of AN unit in the unextracted product was 21.5 wt% with f_AN of 25 wt%, the toughening effect of unextracted PEB-g-MAN on SAN resin was the highest. Gel permeation chromatography (GPC) analysis showed that when f_AN was 25 wt%, the grafted copolymer had the lowest molecular weight and ABMS had highest toughness. Transmission electron microscopy (TEM) analysis showed that the highest toughness occurred when the phase structure of ABMS was cocontinuous with f_AN of 25 wt%. When f_AN was 25 wt% PEB-g-MAN domains have numerous small SAN domains in them, which was occlusion structure. Scanning electron microscopy (SEM) analysis indicated that the ABMS fracture surfaces had plastic flow visible, which looked like a craze fibers morphology, for the sample with highest impact strength (f_AN = 25 wt%). Dynamic mechanical thermal analysis (DMA) showed that the miscibility of the PEB phase and SAN phase improved after graft copolymerization of MMA and AN onto PEB.     

室温磁制冷主动式磁蓄冷器数值模拟

提出了一个研究工作参数、设计参数对主动式磁蓄冷器(AMR)制冷性能影响的数值模型。三个主要参数包括:质量流量m、频率f、蓄冷器孔隙率ε,被用来表征AMR的制冷能力。数值模拟的结果表明:对一个AMR而言,存在一个最佳孔隙率;在某一确定孔隙率条件下,AMR存在最佳换热流体质量流量和最佳工作频率;与高频相比,AMR在较低频率下有更好的制冷性能,一味提高频率并不一定能提高AMR的制冷量。模拟结果对磁制冷样机的设计、工作参数的选择有很大的指导意义。