Electron g-factor in a gated InAs-inserted-channel In0.53Ga0.47As/In0.52Al0.48As heterostructure

We report on electron g-factor in an InAs-inserted In_0.53Ga_0.47As/In_0.52Al_0.48As heterostructure. The gate voltage dependence of g-factor is obtained from the coincidence method. The obtained g-factor values are surprisingly smaller than the g-factor value of bulk InAs, and it is close to the bare g-factor value of In_0.53Ga_0.47As. The large change in g-factor is observed by applying the gate voltage. The obtained gate voltage dependence is not simply explained by the energy dependence of g-factor.     

SSCH3光解离的多参考理论计算

摘要运用多参考微扰理论(Multireference MΦller-Plesset theory)计算了SSCH3垂直激发能及其S-C与S-S两种断键方式的绝热(Adiabatic)与非绝热(Diabatic)的基态和激发态势能曲线, 研究了在193nm激光作用下SSCH3的光解离过程, 理论计算值与实验值相符.     

Assignment of the first photoelectron band of the CH<Subscript>3</Subscript>CHCl radical using ab initio quantum mechanical calculations

HeI photoelectron spectra have been recorded for the reaction of atomic fluorine with ethyl chloride at different reaction times. A structured band associated with a short-lived primary reaction product has been recorded with adiabatic and vertical ionization energies of (7.84±0.02) and (8.18±0.02) eV respectively. An average vibrational separation of (680±30) cm^–1was observed in this band. Comparison between the experimental vertical and adiabatic ionization energies and ionization energies computed for CH₃CHCl (X²A) and CH₂CH₂Cl (X²A) at different levels of theory led to the assignment of the observed first photoelectron band to the ionization of CH₃CHCl (X²A). The observed vibrational structure was assigned to excitation of the C–Cl stretching mode in CH₃CHCl⁺(X¹A).Proceedings of the 11th International Congress of Quantum Chemistry satellite meeting in honor of Jean-Louis Rivail     

离子簇合物HeN_2~+的电子光谱的从头算研究

本文报道了离子簇合物HeN2＋的电子光谱的从头算结果。在MCSCF／6－31G（d，p）水平上，对其基态进行了几何优化，用该构型．在SDC1／6－31（d，p）水平上计算了基态的总能量。用SDCI方法计算得到HeN2＋从基态到选择激发态的垂直跃迁能、振子强度、跃迁频率、辐射寿命以及Einstain系数。该结果可以较好的验证maier的实验。     

Modification of Polymeric Carbon Nitride with Au–CeO2 Hybrids to Improve Photocatalytic Activity for Hydrogen Evolution

The construction of a multi-component heterostructure for promoting the exciton splitting and charge separation of conjugated polymer semiconductors has attracted increasing attention in view of improving their photocatalytic activity. Here, we integrated Au nanoparticles (NPs) decorated CeO₂ (Au–CeO₂) with polymeric carbon nitride (PCN) via a modified thermal polymerization method. The combination of the interfacial interaction between PCN and CeO₂ via N-O or C-O bonds, with the interior electronic transmission channel built by the decoration of Au NPs at the interface between CeO₂ and PCN, endows CeAu–CN with excellent efficiency in the transfer and separation of photo-induced carriers, leading to the enhancement of photochemical activity. The amount-optimized CeAu–CN nanocomposites are capable of producing ca. 80 μmol· H₂ per hour under visible light irradiation, which is higher than that of pristine CN, Ce–CN and physical mixed CeAu and PCN systems. In addition, the photocatalytic activity of CeAu–CN remains unchanged for four runs in 4 h. The present work not only provides a sample and feasible strategy to synthesize highly efficient organic polymer composites containing metal-assisted heterojunction photocatalysts, but also opens up a new avenue for the rational design and synthesis of potentially efficient PCN-based materials for efficient hydrogen evolution.     

匹配垂直质点振速的浅海地声参数反演

海底声学参数对海洋波导中的声场特性研究和相关应用具有重要意义。针对一次夏季黄海声传播实验,分析了浅海负跃层环境下垂直质点振速的传播特性和简正波结构,说明当声源和接收器均位于负跃层下时,除海底附近外的大部分深度上垂直质点振速能量较高,且与声压相比,号数高的简正波对垂直质点振速的贡献更大,利用垂直质点振速进行匹配场反演能获得更高的海底参数敏感性。分析了海底吸收系数对垂直质点振速匹配场反演的影响,结果表明只有当进行匹配场反演时设置的海底吸收系数接近真实值时,才能获得准确的海底声速、密度和海深反演结果。利用实验中矢量水听器获取的垂直质点振速信号进行匹配场反演,将海底吸收系数在变化范围内取不同值对海底声速、密度和平均海深进行全局搜索,根据代价函数值最大确定了海底声速、密度及平均海深的反演结果,并利用不同距离上的声压传播损失反演出不同频率下的海底吸收系数。根据反演得到的海底声学参数计算声压传播损失,与实验中声压水听器测量结果符合较好。     

The efect of the couple stress parameter and Prandtl number on the transient natural convection flow over a vertical cylinder

An analysis is performed to study transient free convective boundary layer flow of a couple stress fluid over a vertical cylinder, in the absence of body couples. The solution of the time-dependent non-linear and coupled governing equations is carried out with the aid of an unconditionally stable Crank–Nicolson type of numerical scheme. Numerical results for the steady-state velocity, temperature as well as the time histories of the skin-friction coefcient and Nusselt number are presented graphically and discussed. It is seen that for all flow variables as the couple stress control parameter, Co, is amplified, the time required for reaching the temporal maximum increases but the steady-state decreases.     

Non-Poissonian statistics in an optical analog of quantum billiard with perfectly square boundaries

We study deviation from the Poissonian statistics of the frequency spacing distribution, appearing due to coupling of polarizational and transverse degrees of freedom in a perfectly square vertical cavity surface emitting laser. The deviation can be controlled by strength of the intracavity anisotropy and its alignment to the device boundaries.     

Facile synthesis of Z-scheme NiO/α-MoO3 p-n heterojunction for improved photocatalytic activity towards degradation of methylene blue

In this article, Z-scheme NiO/α-MoO₃ p-n heterojunction is successfully synthesized by a facile hydrothermal route. The phase and nanostructures are researched through a series of characterizations, such as XRD, SEM, TEM, EDX, XPS and DRS. It is confirmed that the NiO nanoparticles are deposited homogeneously on one dimensional α-MoO₃ nanobelts and p-n heterojuction is constructed at the interface of α-MoO₃ and NiO. Photocatalytic activity of the as-synthesized photocatalysts is investigated by photodegradation of methylene blue (MB) under simulated solar light irradiation. Compared with bare α-MoO₃, the NiO/α-MoO₃ p-n heterojunction exhibits significantly improved photocatalytic activity and photostability for MB degradation. The improvement in the photocatalytic performance can be attributed to the optimization of the charge transport pathway offered by Z-scheme heterojunctions, which can promote the effective separation of electron-hole pairs. The results indicate that Z-scheme NiO/α-MoO₃ p-n heterojunction is a novel and efficient photocatalyst with potential application for the removal of organic contaminant in wastewater.