浸没于带电纳米粒子溶液中的聚电解质刷:强拉伸理论

纳米粒子是调控聚电解质刷行为的一种新手段,聚电解质刷是调控纳米粒子与表面相互作用的一种重要媒介,本文应用强拉伸理论研究了聚电解质刷浸没于带同种电荷的纳米粒子溶液中的行为.给出了聚电解质刷、纳米粒子、反离子的密度分布和刷厚度的解析表达式,基于解析表达式,得到了体系的特征标度关系.当纳米粒子浓度Φ较高,电量Z较低时,纳米粒子可以渗入聚电解质刷内部.当纳米粒子浓度Φ相对较低,电量Z较高时,纳米粒子几乎不能渗入刷内部,但依然可以影响刷的厚度.在前一种情形下,刷行为由反离子、纳米粒子的渗透压与链的熵弹性之间的竞争决定,刷厚度满足的标度关系为H≈(ZΦ)~(-1/3);在后一种情形下,刷行为由反离子的渗透压与链的熵弹性之间的竞争决定,刷厚度满足的标度关系为H≈(ZΦ)~(-1).本文还探究了纳米粒子多分散性的效应.     

纳米通道反电渗析的理论分析

纳米通道内的反电渗析过程是一种将纳米通道两端由于浓度差造成的能量势差直接转化成电能的新方法。由于反电渗析中局部浓度随通道位置变化,壁面电荷密度也会随通道位置发生变化。本文引入双电层带电Basic-Stern模型,将壁面电荷密度与局部浓度关联,并在传统空间电荷模型的基础上,预测了反电渗析过程的电流电压曲线和电动势。修正的空间电荷模型由于引入双电层带电模型,将难以测量的物理量,如壁面电荷密度,转化为较易测得的物理量和已知的模型参数。与过去模型的对比表明修正的空间电荷模型在合理选择模型参数的条件下更符合实验结果。     

新型多孔凝胶电解质的制备及其在准固态柔性基染料敏化太阳电池中的应用

制备了一种新型多孔聚丙烯酸/十六烷基三甲基溴化铵聚吡咯凝胶电解质,并将其应用于柔性基染料敏化太阳电池(DSSC)。通过扫描电镜表征、热重分析测试、电化学性能测试和柔性电池光电性能测试等手段,分析了凝胶电解质对柔性基DSSC的光电性能影响。研究结果表明:随着聚吡咯的引入,提高凝胶电解质导电性以及催化电解质中的I-/I3-离子电对等性能,最终在100mW/cm2[大气质量(AM)1.5]光照条件下,测得基于该准固态凝胶电解质的柔性基DSSC光电转换效率达1.28%。     

半刚性聚电解质链与带相反电荷颗粒复合体系的动力学模拟

用Langevin动力学研究了半刚性聚电解质链与带相反电荷球状颗粒在溶液中的复合体系，并研究了链的拉伸性质.具体考察了带电颗粒的电量以及溶液中盐离子浓度对复合体系的影响.链两端没有施加外力的情况下，当溶液中盐离子浓度较低时，复合体系呈现一种串珠状结构；当溶液中盐离子浓度较高时，复合体系转变为一种聚集态结构.链的两端施加外力的情况下，带电颗粒从链上脱落的过程可以分为两步. 关键词： 聚电解质链 Langevin动力学 Debye-Hückel长度     

β-环糊精对含有十二烷基硫酸钠的甲基纤维素水溶液凝胶化行为的影响

测定了甲基纤维素在SDS溶液、和SDS与β-CD混合溶液中的凝胶化温度,讨论了SDS与MC之间疏水相互作用和SDS与β-CD之间包合作用对MC溶液凝胶化行为的影响. 结果表明,SDS与β-CD之间的包合作用远大于SDS与MC链上甲基之间疏水相互作用,在β-CD存在下,SDS对MC溶液凝胶化行为的影响可以被完全屏蔽掉. 由此可以进一步计算出在MC存在下SDS与β-CD之间的包合比是1:1,与在聚乙烯基吡咯烷酮存在下的包合比完全一致,但是与在带相反电荷聚电解质存在下的包合比并相同,主要是因为SDS与MC相互作用的方式和与聚电解质相互作用的方式有着本质的区别.     

混合电解质溶液中考虑介电饱和度的表面电位评估原理（英文）

基于非线性泊松-玻尔兹曼方程,推导了混合电解质溶液中考虑介电饱和度的表面电位的解析表达式.近似解析解和精确数值解计算出的表面电位在很大范围的电荷密度和离子强度条件下均具有很好的一致性.当表面电荷密度大于0.30 C/m~2时,介电饱和度对表面电位的影响变得尤为重要;当表面电荷密度小于0.30 C/m~2时,可忽略介电饱和度的影响,即基于经典泊松-玻尔兹曼方程可获得有效的表面电位解析模型.因此,0.3 C/m~2可作为是否考虑介电饱和度的颗粒临界表面电荷密度值.在低表面电荷密度时,考虑介质饱和度的表面电位解析模型可自然回归到经典泊松-玻尔兹曼理论的结果,得到的表面电位可以正确地预测一价和二价反离子之间的吸附选择性.     

一个圆柱形双栅场效应晶体管的物理模型

圆柱形双栅场效应晶体管(CSDG MOSFET)是在围栅MOSFET器件增加内部控制栅而形成,与双栅、三栅及围栅MOSFET器件相比,圆柱形双栅MOSFET提供了更好的栅控性能和输出特性.本文通过求解圆柱坐标系下的二维泊松方程,得到了圆柱形双栅MOSFET的电势模型;进一步对反型电荷沿沟道积分,建立其漏源电流模型.分析讨论了圆柱形双栅MOSFET器件的电学特性,结果表明:圆柱形双栅MOSFET外栅沿沟道的最小表面势和器件的阈值电压随栅介质层介电常数的增大而减小,其漏源电流和跨导随栅介质层介电常数的增大而增大;随着器件参数的等比例缩小,沟道反型电荷密度减小,其漏源电流和跨导也减小.     

反胶束内表面电荷密度／表面电势的近似解析式

用摄动法与线性化近似耦合迭代法求解非线性的Ｐｏｉｓｓｏｎ－Ｂｏｌｔｚｍａｎｎ方程,获得了反胶束内表面电荷密度／表面电势的两个近似解析式,具有适用于混合,非对称电解质溶液的普遍情形的特点,与计算机精确的数值解进行对比表明,在通常反胶束内部双电层表面电势的情形下,两个近似解析式分别具有１．０％与５．０％的相对误差,从而构成了非线性ＰＢＥ在全区间上的部分近似解析解。     

混合电解质溶液中考虑介电饱和度的表面电位评估原理

基于非线性泊松-玻尔兹曼方程，推导了混合电解质溶液中考虑介电饱和度的表面电位的解析表达式. 近似解析解和精确数值解计算出的表面电位在很大范围的电荷密度和离子强度条件下均具有很好的一致性. 当表面电荷密度大于0.30 C/m^{2 时，介电饱和度对表面电位的影响变得尤为重要；当表面电荷密度小于0.30 C/m2时，可忽略介电饱和度的影响，即基于经典泊松-玻尔兹曼方程可获得有效的表面电位解析模型. 因此，0.3 C/m2可作为是否考虑介电饱和度的颗粒临界表面电荷密度值. 在低表面电荷密度时，考虑介质饱和度的表面电位解析模型可自然回归到经典泊松-玻尔兹曼理论的结果，得到的表面电位可以正确地预测一价和二价反离子之间的吸附选择性.}     

固液界面双电荷层结构的一个界面势模型

当液体受限在纳米尺度下时,会呈现出跟宏观尺度下完全不同的输运性质。这些新的性质可以被应用于很多领域,譬如对生物体中体液输运的研究,液体抽运,药物的混合和分离,以及离子和胶体颗粒的选择等领域。为了充分利用这些新性质,需要对纳米液体中最基本的双电荷层结构有深刻认识。文章回顾了传统的泊松—玻尔兹曼方程对双电荷层结构中液体离子分布的计算,指出了其中的不足,并提出一种基于液体电荷保持中性的固液表面势模型。     

Streaming potential analysis on the hydrodynamic transport of pressure-driven flow through a rotational microchannel

In this study, the streaming potential and electrokinetic energy conversion efficiency are discussed under the low zeta potential approximation through a microparallel channel with consideration of rotational effect. By solving Poisson-Boltzmann equation and modified Navier–Stokes equation, the analytical expressions of the streaming potential and electrokinetic energy conversion efficiency in the electrolyte solution are obtained. Combining with the numerical calculation, the influences of the dimensionless electrokinetic width K and the rotational angular velocity ω on streaming potential and the electrokinetic energy conversion efficiency are discussed. The results show that the streaming potential fields decrease both in mainstream and secondary directions with the electrokinetic width K, it decreases with the non-dimensional rotational angular velocity in the mainstream direction and it shows a first increasing then decreasing trend in the secondary flow direction. In addition, the influences of related non-dimensional parameters, including electrokinetic width, wall electric potential and rotational angular velocity, on the electrokinetic energy conversion efficiency are also discussed in detail. The rotating effect can enhance conversion efficiency comparing to the case of no rotation. The increase of wall electric potential gives rise to an augment in electrokinetic energy conversion efficiency. These theoretical results make sense to the energy harvesting in the rotating microfluidic systems.     

The electrical conduction variation in stained carbon nanotubes

Carbon nanotubes become stained from coupling with foreign molecules, especially from adsorbing gas molecules. The charge exchange, which is due to the orbital hybridization, occurred in the stained carbon nanotube induces electrical dipoles that consequently vary the electrical conduction of the nanotube. We propose a microscopic model to evaluate the electrical current variation produced by the induced electrical dipoles in a stained zigzag carbon nanotube. It is found that stronger orbital hybridization strengths and larger orbital energy differences between the carbon nanotube and the gas molecules help increasing the induced electrical dipole moment. Compared with the stain-free carbon nanotube, the induced electrical dipoles suppress the current in the nanotube. In the carbon nanotubes with induced dipoles the current increases as a result of increasing orbital energy dispersion via stronger hybridization couplings. In particular, at a fixed hybridization coupling, the current increases with the bond length for the donor-carbon nanotube but reversely for the acceptor-carbon nanotube.     

双金属/TiO2纳米管复合结构中增强的光电流

将传统半导体材料与金属微纳结构相结合,利用其表面等离激元共振效应,可有效地增强复合结构的光电转换效率,使其广泛地被用于光电化学和光电探测等领域.本文以氧化铝纳米管为模板,采用原子层沉积技术制备出高有序的TiO2纳米管,并通过电子束热蒸发技术在大孔径的纳米管薄膜中分别负载金、铝和双金属金/铝纳米颗粒,形成金属纳米颗粒/TiO2纳米管复合结构.研究结果表明,相对于纯TiO2纳米管,Au/TiO2复合纳米管在568 nm的可见光照射下,其光电流密度约有400%的提高;在365 nm紫外光照射下,Al/TiO2复合纳米管的光电流提高约50%;同时负载双金属Au和Al纳米颗粒的TiO2纳米管在整个紫外-可见光区域光电流均显著增强.     

Potential energy,force distribution and oscillatory motion of chloride ion inside electrically charged carbon nanotubes

In this research, a continuum-based model is presented to explore potential energy, force distribution and oscillatory motion of ions, and in particular chloride ion, inside carbon nanotubes (CNTs) decorated by functional groups at two ends. To perform this, van der Waals (vdW) interactions between ion and nanotube are modeled by the 6-12 Lennard-Jones (LJ) potential, whereas the electrostatic interactions between ion and functional groups are modeled by the Coulomb potential and the total interactions are analytically derived by summing the vdW and electrostatic interactions. Making the assumption that carbon atoms and charge of functional groups are all uniformly distributed over the nanotube surface and the two ends of nanotube, respectively, a continuum approach is utilized to evaluate the related interactions. Based on the actual force distribution, the equation of motion is also solved numerically to arrive at the time history of displacement and velocity of inner core. With respect to the proposed formulations, comprehensive studies on the variations of potential energy and force distribution are carried out by varying functional group charge and nanotube length. Moreover, the effects of these parameters together with initial conditions on the oscillatory behavior of system are studied and discussed in detail. It is found out that chloride ion escapes more easily from negatively charged CNTs which is followed by uncharged and positively charged ones. It is further shown that the presence of functional groups leads to enhancing the operating frequency of such oscillatory systems especially when the electric charges of ion and functional groups have different signs.     

双电层交叠时微通道内流动的数值模拟

本文采用有限容积法数值模拟了在电动效应作用下微通道内流体的流动特性。分别采用Poisson方程和Nernst- Planck方程计算电动势和离子浓度分布。结果表明在双电层相互交叠的情况下,微通道内轴向的流动电势先减小后增大,并逐渐趋于定值,从而导致了轴向电动效应不断增强。     

Liquid Flow in a Porous Channel with Electrokinetic Effects

In this paper, a fully developed laminar flow in a porous channel between two paralleled flat plates in the presence of a double layer electric field is analyzed. The linear Poisson-Boltzmann equation is suggested to model the double layer electric field near the solid-liquid interface. The equation of motion is extended by including the electrical body force generating from the double layer field and then solved analytically. Different from previous models, our proposed one is continuous in the whole flow field and matches commonly-accepted models in the field of fluid mechanics. Besides, the effects of various physical parameters such as the zeta potential, the electrokinetic separation distance, and the ratio of the streaming current to conduction current on the velocity, the pressure, the apparent viscosity of the fluid, as well as the streaming potential are discussed. Physical explanations on the changing trends of those physical quantities with various parameters are given.     

Electronic structure model of a metal-filled carbon nanotube

Carbon monolayer nanotubes filled with K, Rb, and Cs atoms, in which every ten carbon atoms captures an electron from the doping atoms, are considered. It is assumed that a positive charge in the bulk of the nanotube and a negative charge on its surface are distributed uniformly so that the potential energy of a conduction electron inside the nanotube is proportional to the square of the distance to its center. The dependences of the Fermi quasi-momentum for conduction electrons inside the nanotube on their volume density and the tube radius are obtained in the one-electron approximation for an arbitrary number of subbands of transverse motion. The Landauer formula is used for calculating the dependence of the conductivity of the metallic subsystem of the nanotube on its radius.     

Charge transport in anodic TiO2 nanotubes studied by terahertz spectroscopy

We report on the photoelectrochemical and terahertz measurements, of the charge transport properties of 1 μm thick self‐organized TiO₂ nanotube layers, prepared by the anodization of titanium. We provide evidence regarding the complexity of electron transport, and dynamics in the nanotubes. Shortly after photoexcitation, charge mobilites in amorphous and crystalline nanotubes are similar, but still lower compared to the bulk anatase. The mobility subsequently decreases due to trapping‐detrapping processes. The recombination rate in anatase nanotubes is much slower than in the amorphous ones, enabling the material to reach an internal photon to electron conversion efficiency exceeding 60%.     

Liquid Flow in a Porous Channel with Electrokinetic Effects

In this paper, a fully developed laminar flow in a porous channel between two paralleled flat plates in the presence of a double layer electric field is analyzed. The linear Poisson-Boltzmann equation is suggested to model the double layer electric field near the solid-liquid interface. The equation of motion is extended by including the electrical body force generating from the double layer field and then solved analytically. Different from previous models, our proposed one is continuous in the whole flow field and matches commonly-accepted models in the field of fluid mechanics.Besides, the effects of various physical parameters such as the zeta potential, the electrokinetic separation distance, and the ratio of the streaming current to conduction current on the velocity, the pressure, the apparent viscosity of the fluid,as well as the streaming potential are discussed. Physical explanations on the changing trends of those physical quantities with various parameters are given.     

Charge pumping in carbon nanotubes

We demonstrate charge pumping in semiconducting carbon nanotubes by a traveling potential wave. From the observation of pumping in the nanotube insulating state we deduce that transport occurs by packets of charge being carried along by the wave. By tuning the potential of a side gate, transport of either electron or hole packets can be realized. Prospects for the realization of nanotube based single-electron pumps are discussed.