锂离子进入碳纳米管端口速度的分子动力学模拟

锂离子进入碳纳米管端口的速度V Li是影响锂离子电池充电性能的重要因素.采用分子动力学模拟方法,研究了直径、温度、电场强度和端口改性官能团四种因子对其影响.运用正交实验方法,分析得出了各因子及其不同水平的影响规律.结果表明,四种因子的影响力度由大到小依次为:电场强度、官能团类型、碳纳米管直径和温度.在本文的模拟条件下,随着电场强度和碳纳米管直径的增大,V Li逐渐增加,且在电场强度下的增幅会更显著;碳纳米管端口官能团分别改性为氢原子(—H),羟基(—OH),氨基(—NH2)以及羧基(—COOH)时,V Li会逐步降低;随着温度的增大,V Li先增加后减小,但整体波动偏幅不大.     

New results on quadratic stabilization of switched linear systems with polytopic uncertainties

^** Corresponding author. Email: longwang{at}pku.edu.cn^*** Email: jizj{at}mech.pku.edu.cn In this paper, the quadratic stabilization of switched linearsystems with polytopic uncertainties is considered. Comparedwith the existing result, a more general switching control methodis proposed to guarantee the quadratic stabilization. This switchingcontrol method is based on the partition of the vertex matrixset of each subsystem. By this method, the matrix inequalitiesneeded to be solved are always less than those needed to besolved before except one extreme case; for this case, it isequal. The switched control synthesis problem is also studiedfor both switched state feedback and output feedback. Severalbilinear matrix inequality based conditions are derived forboth cases.     

Coherent control of spin tunneling in a driven spin–orbit coupled bosonic triple well

We investigate the coherent control of spin tunneling for a spin–orbit (SO) coupled boson trapped in a driven triple well. In the high-frequency limit, the quasienergies of the system are obtained analytically and the fine energy band structures are shown. By regulating the driving parameters, we reveal that the directed spin-flipping or spin-conserving tunneling of an SO-coupled boson occurs along different pathways and in different directions. The analytical results are demonstrated by numerical simulations and good agreements are found. Further, an interesting scheme of quantum spin tunneling switch with or without spin-flipping is presented. The results may have potential applications in the design of spintronic devices.     

A Necessary and Sufficient Proximity Condition for Smoothness Equivalence of Nonlinear Subdivision Schemes

In the recent literature on subdivision methods for approximation of manifold-valued data, a certain “proximity condition” comparing a nonlinear subdivision scheme to a linear subdivision scheme has proved to be a key analytic tool for analyzing regularity properties of the scheme. This proximity condition is now well known to be a sufficient condition for the nonlinear scheme to inherit the regularity of the corresponding linear scheme (this is called smoothness equivalence). Necessity, however, has remained an open problem. This paper introduces a smooth compatibility condition together with a new proximity condition (the differential proximity condition). The smooth compatibility condition makes precise the relation between nonlinear and linear subdivision schemes. It is shown that under the smooth compatibility condition, the differential proximity condition is both necessary and sufficient for smoothness equivalence. It is shown that the failure of the proximity condition corresponds to the presence of resonance terms in a certain discrete dynamical system derived from the nonlinear scheme. Such resonance terms are then shown to slow down the convergence rate relative to the convergence rate of the corresponding linear scheme. Finally, a super-convergence property of nonlinear subdivision schemes is used to conclude that the slowed decay causes a breakdown of smoothness. The proof of sufficiency relies on certain properties of the Taylor expansion of nonlinear subdivision schemes, which, in addition, explain why the differential proximity condition implies the proximity conditions that appear in previous work.     

Spin gapless armchair graphene nanoribbons under magnetic field and uniaxial strain

Using Green＇s function method, we investigate the spin transport properties of armchair graphene nanoribbons （AG- NRs） under magnetic field and uniaxial strain. Our results show that it is very difficult to transform narrow AGNRs directly from semiconductor to spin gapless semiconductors （SGS） by applying magnetic fields. However, as a uniaxial strain is exerted on the nanoribbons, the AGNRs can transform to SGS by a small magnetic field. The combination mode be- tween magnetic field and uniaxial strain displays a nonmonotonic arch-pattern relationship. In addition, we find that the combination mode is associated with the widths of nanoribbons, which exhibits group behaviors.     

Influence of Hydrothermal Temperature on Structures and Photovoltaic Properties of SnO2 Nanoparticles

Two SnO₂ nanoparticles were synthesized by hydrothermal method at 170°C and 180°C, respectively. Transmission electron microscope observations reveal that the diameters of both the nanoparticles are around 6nm. At the same time, surface photovoltage spectroscopy measurements show that the nanoparticle synthesized at 180°C has more surface electronic states at 0.3eV below the conduction band than the one synthesized at 170°C. This means that the temperatures chosen in hydrothermal synthesis have significant influence on the surface electronic characteristics of resultant SnO² nanoparticles but the effect on their sizes is not obvious. However, after being calcined at 500°C for 2h, the diameter of the nanoparticle synthesized at 180°C increased to 23nm and that of the nanoparticle synthesized at 170°C increased to 32nm as calculated from X-ray diffraction pattern.     

High-brightness white light-emitting organic electroluminescent devices using poly(N-vinylcarbazole) as a hole-transporter

A white light-emitting organic electroluminescent (EL) device with multilayer thin-film structure, which shows high-brightness and high-efficiency, is demonstrated. The device structure of glass substrate/indium–tin oxide/poly(N-vinylcarbazole) (PVK)/1,1,4,4-tetraphenyl-1,3-butadiene/8-(quinolinolate)-aluminum (Alq) doped with 5,6,11,12-tetraphenylnaphthacene/Alq/Mg/Al was employed. The turn-on voltage is as low as 2.5 V. The white light emission covers a wide range of the visible region, and the Commission Internationale de 1' Eclairage coordinates of the emitted light are (0.319, 0.332) at 10 V. Bright white light, over 20 000 cd/m², was successfully obtained at about 18 V, and the maximum efficiency reaches to 1.24 lm/W at 9 V. The reasons of obtaining high level EL properties of our device have been discussed.     

Pair-produced heavy particle topologies: MSSM neutralino properties at the LHC from gluino/squark cascade decays

Processes of the form pp → anything → X_iX_j → + + notE are studied via a technique that may be viewed as an adaptation of time-honoured Dalitz plot analyses. X_i and X_j are new heavy states (with i, j =1, . . .,n), which may be identical or distinct; and and are necessarily distinct standard model (SM) fermion pairs whose invariant masses can be measured. A Dalitz-like plot of said invariant masses, versus , exhibits a topology connected to the masses and specific decay chains of X_i and X_j. Aside from relatively minor details, observed patterns consist of a collection of box and wedge shapes. This collection is model-dependent: comparison of the observed pattern to the possibilities for a specific model yields information on which new particle pair combinations are actually being produced, information beyond that extractable from conventional one-dimensional invariant mass distributions. The technique is illustrated via application to the minimal supersymmetric standard model (MSSM) process pp → → e⁺e^- + μ⁺μ^- notE. Here the heavy states are neutralinos (i = 2,3,4) - note that is excluded - which are produced in gluino/squark ( / ) cascade decay chains. Even with fairly modest expectations for the LHC performance during the first few years, this method still provides substantial insight into the neutralino mass spectrum and couplings if gluino/squark masses are relatively low (≃ 400 GeV). Arrival of the final proofs: 29 November 2005     

One-pot synthesis of uniform hollow cuprous oxide spheres fabricated by single-crystalline particles via a simple solvothermal route

Uniform Cu₂O hollow spheres fabricated by single-crystalline particles (smaller than 20 nm) are facile synthesized in ethylene glycol (EG) solution by a simple solvothermal route without using pre-fabricated templates and reductive agents. EG in this protocol is not only used as a solvent, complexing agent, and reducing agent, but also served as a structure-directing agent for the formation of hollow structure. By control of reaction conditions, such as reaction time, temperature, and the anions, the morphology and structure of the hollow spheres can be tuned. A coordination adsorption and oriented attachment and Ostwald ripening mechanism is proposed for explaining the formation process of hollow Cu₂O spheres in EG solution; and importantly, the hollow Cu₂O spheres exhibit an excellent property for the electro-catalytic oxidization of ascorbic acid in acetic acid buffer solution. Moreover, the hollow spherical Cu₂O particles could be potentially applied in catalysis, sensor, and as model for fundamental research.