高质量CdTe量子点的水相快速合成

系统考察了水相合成CdTe量子点的主要影响因素, 通过改变无水乙醇-水体系的体积, 提高NaHTe的合成质量, 并调整反应温度, 改变反应的初始pH值, 在水相中快速合成了量子产率高、粒径分布范围窄的CdTe量子点, 实现了对量子点发光性质的调控, 在最佳条件(无水乙醇3 mL, 水1 mL, 反应初始pH 8.0, 反应温度40 ℃)下, 最高量子产率达68%. 量子点胶体溶液在回流过程中有时产生白色沉淀, 放置7 d后, 未过滤白色沉淀的量子点比过滤后的量子点荧光强度提高15%, 白色沉淀还有减小粒径分布的作用.     

Structure of (Me<Subscript>2</Subscript>Cu)Li · 3DME and its oligomers [(Me<Subscript>2</Subscript>Cu)Li · 3DME]<Subscript><Emphasis Type="Italic">n</Emphasis></Subscript> (<Emphasis Type="Italic">n</Emphasis> = 2–5): a theoretical study

The structures of monomeric lithium dimethylcuprate solvated by three 1,2-dimethoxyethane (DME) molecules (Me₂Cu)Li · 3DME and its oligomers [(Me₂Cu)Li · 3DME] _n (n = 2–5) in the gas phase were studied using the density functional theory. The structures of these systems are compared with that of (Me₂Cu)Li · 3DME in the crystal. It is shown that numerous C-H…Cu and C-H…C hydrogen bonds, as well as C-H…H dihydrogen bonds between DME molecules, which solvate lithium cations, and corresponding dimethylcuprate anions significantly affect the formation and structure of these compounds in the gas and solid phases. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 470–481, March, 2008.     

In原子在GaAs(001)表面的成核与扩散研究

近年来,半导体量子点特别是InAs量子点的基本物理性质和潜在应用得到了广泛研究。许多研究者利用InAs量子点结构的改变以调制其光电特性。本文采用液滴外延法在GaAs(001)表面沉积了不同沉积量的In(3 ML、4 ML、5 ML),以研究In的成核机制和表面扩散。实验发现,随着In沉积量的增加,液滴尺寸(包括直径、高度)明显增大。不仅如此,在相同的衬底温度下,沉积量越大,液滴密度越大。利用经典成核理论,计算了GaAs(001)表面In液滴形成的临界厚度为0.57 ML,计算的结果与已报道的实验一致。从In原子在表面的迁移和扩散,以及衬底中Ga和液滴中的In之间的原子互混原理解释了In液滴形成和形貌演化的机理。实验中得到的In液滴临界厚度以及In液滴在GaAs(001)上成核机理,可以为制备InAs量子点提供实验指导。     

Asymptotic behaviors of solutions for dissipative quantum Zakharov equations

The dissipative quantum Zakharov equations are mainly studied. The existence and uniqueness of the solutions for the dissipative quantum Zakharov equations are proved by the standard Galerkin approximation method on the basis of a priori estimate. Meanwhile, the asymptotic behavior of solutions and the global attractor which is constructed in the energy space equipped with the weak topology are also investigated.     

Growth of hexagonal quantum dots under preferential evaporation

We perform numerical simulations of hexagonal quantum dots of AlGaN semiconductors. We show that the competition between surface mass diffusion and evaporation rules the morphology of the quantum dots. The system displays three different behaviors: presence of separated islands without a wetting layer, islands dissolving into the wetting layer, or islands that do not evolve. The first behavior is of special interest because its optoelectrical properties are significantly improved in comparison with quantum dots with a wetting layer.     

高岭石—金—硫系列的化学键与稳定性研究

用密度泛函离散变分计算方法（ＤＦＴ－ＤＶＭ）,研究了高岭石、高岭石－金和高岭石－金－硫系列,讨论了结构,化学键与稳定性之间的关系。选用了不含金及金或金－硫原子团位于不同方位的多个模型。计算结果表明,金位于层状高岭石侧面的模型比金位于上、下面更为稳定,在金位于层状高岭石侧面的情况下,金靠近铝的模型比金靠近铝空位更为稳定,高岭石－金－硫体系中的金－硫原子团比高岭石－金体系中的更容易被高岭石吸附。模型间     

纳米科技研究中的若干新热点

讨论了纳米科技在各个领域不同于常规材料的优越性和它在各个范畴内的研究热点 ,了解它的发展趋势。     

Quantum Coherences and Classical Inhomogeneities as Equivalent Thermodynamics Resources

Quantum energy coherences represent a thermodynamic resource, which can be exploited to extract energy from a thermal reservoir and deliver that energy as work. We argue that there exists a closely analogous classical thermodynamic resource, namely, energy-shell inhomogeneities in the phase space distribution of a system’s initial state. We compare the amount of work that can be obtained from quantum coherences with the amount that can be obtained from classical inhomogeneities, and find them to be equal in the semiclassical limit. We thus conclude that coherences do not provide a unique thermodynamic advantage of quantum systems over classical systems, in situations where a well-defined semiclassical correspondence exists.