DFT Investigations of Aun Nano-Clusters Supported on TiO2 Nanotubes: Structures and Electronic Properties

TiO₂ nanotubes (TiO₂NTs) are beneficial for photogenerated electron separation in photocatalysis. In order to improve the utilization rate of TiO₂NTs in the visible light region, an effective method is to use Au_n cluster deposition-modified TiO₂NTs. It is of great significance to investigate the mechanism of Au_n clusters supported on TiO₂NTs to strengthen its visible-light response. In this work, the structures, electronic properties, Mulliken atomic charge, density of states, band structure, and deformation density of Au_n (n = 1, 8, 13) clusters supported on TiO₂NTs were investigated by DMOL3. Based on published research results, the most stable adsorption configurations of Au_n (n = 1, 8, 13) clusters supported with TiO₂NTs were obtained. The adsorption energy increased as the number of Au adatoms increased linearly. The Au_n clusters supported on TiO₂NTs carry a negative charge. The band gaps of the three most stable structures of each adsorption system decreased compared to TiO₂NTs; the valence top and the conduction bottom of the Fermi level come mainly from the contribution of 5d and 6s-Au. The electronic properties of the 5d and 6s impurity orbitals cause valence widening and band gap narrowing.     

An all-organic aqueous potassium dual-ion battery

Benefiting from the environmental friendliness of organic electrodes and the high security of aqueous electrolyte,an all-organic aqueous potassium dual-ion full...     

Circuit analysis of the compound quasi-optical power combiner

In 1991, we developed a new type of quasi-optical power combiner, called a compound quasi-optical power combiner, at Ka-band. In this paper, the circuit of such a compound quasi-optical power combiner is analysed. Its equivalent circuit model is proposed. The circuit equations, the balance condition, the injection locking and the stabilized condition of the compound quasi-optical power combiner are studed by the equivalent circuit model. As an example, a compound quasi-optical power combiner which consists of two single—cavity, two—device power combiners is analysed     

On the Existence of Positive Periodic Solutions for Neutral Functional Differential Equation with Multiple Deviating Arguments

By means of an abstract continuation theory for κ-set contraction and continuation theorem of coincidence degree principle, some criteria are established for the existence of positive periodic solutions of following neutral functional differential equation dN/dt=N(t)[α(t)-β（t)N(t)-∑j=1^n bj(t)N(t-σj(t))-∑i=1^mci(t)N‘(t-γi(t)0].     

Positive solutions for (n−1,1) three-point boundary value problems with coefficient that changes sign

In this paper, we establish existence results for positive solutions for the (n−1,1) three-point boundary value problems consisting of the equation

     

MPT－X磁偏滤器位形的数值计算

ＭＰＴ－Ｘ是带４个内导体坏的托卡马克装置。本文用差分法计算了ＭＰＴ－Ｘ磁偏滤器的平衡磁面位形。结果表明，迭加上各种强度的八极场都能形成磁偏滤器位形，形成电流的放电中心区域随八极场的增加而收缩。还模拟了从多极器运行模式向托卡马克的过渡。     

透平级S_2流面内的反问题湍流计算

本文发展了应用湍流流函数方程计算湍流流场的方法。计算了扭曲叶片Ｓ２流面的湍流流场．在非正交曲线坐标可压湍流方程组中包含了以无量纲形式表示的能量方程，熵方程和Ｋ－ε湍流模型方程。固壁边界上采用了壁函数方程。通过计算得到了透平级内部的湍流流动合理的收敛解。此方法可以通过调节子午通道的形状及环量的大小分布来防止流动中负速度的出现，为高效透平级的设计提供了一种新的途径。     

线性时变微分代数系统的稳定性

讨论了线性时变微分代数系统的稳定性，直接由方程系数给出稳定性的判定条件.      

关于对偶扩张代数有限维数的注记

没A是一个有限维代数，R为A的对偶扩张代数．本我们讨论R的有限维数findim R of R，证明了，在—般情况下findim R≠2findim A，这就回答了惠昌常教授所提的一个问题．