掺镧多孔TiO2纳米晶表面电子结构与能量转换机制

采用溶胶-凝胶法制备多孔掺镧纳米晶二氧化钛样品.结合光声与表面光伏技术,研究样品的光声和表面光伏特性.分析认为,掺镧后在表面上富集的La-O-Ti化合物形成的施主态活性中心吸附氧和H2O分子后生成的活性氧和羟基,导致了吸附表面光激发电荷转移跃迁的催化光反应(sensitized photoreaction)机制.实验证实,适当的镧掺杂不仪可以增强样品的表面光伏特性,而且可以有效地抑制非辐射跃迁的发生,提高光量子效率.实验在指认与样晶非辐射退激有关的电荷转移跃迁过程的同时,证实非辐射跃迁过程与样品表面是否生成活性氧和羟基活性中心无关.     

抵御大变形超导体的发现

超导体在压力的作用下会产生原子间距的缩小,进而导致晶格参数的改变,甚至能使其原子排列规律变化,引发结构相变.超导体的超导电性是一种演生现象,是由超导体中所包含的电荷、自旋、轨道、晶格等多种相互作用的自由度所决定的.因此,当超导体在外部压力作用下发生晶体结构的变化,通常都会引起超导电性的改变,尤其超导转变温度的变化.本文介绍近年发现的一类能够抵御大变形的超导体(robust super-conductivity against volume shrinkage, RSAVS)——这类超导体在压力作用下,即使发生很大的体积压缩,其超导转变温度仍保持不变.这种奇异的能抵御压缩变形的稳定超导电性最初是在对高熵合金的高压研究中观察到的,后续研究发现在广泛应用的商业化NbTi合金以及Nb, Ta等金属元素超导体中也具有这种可抵御大变形的超导电性.分析结果显示,这类超导体都具有体心立方晶体结构,并由过渡族金属元素构成.这种超导体的发现为统一理解“什么因素决定了超导体的超导转变温度?”这一关键问题提出了新的研究课题和挑战.     

MEMS仿生矢量水听器微结构的有限元分析

结合压电原理和仿生学理论,利用MEMS工艺制作的仿生矢量水听器,具有高灵敏度、宽频带、矢量性及高信噪比等特点。为了进一步提高水听器预测水下环境中声学特性的准确性并提高其固有频率,利用有限元方法对MEMS水听器仿生微结构进行优化分析。首先,对仿生微结构固有频率和灵敏度与其结构尺寸关系作了理论分析并画出不同微结构尺寸下的固有频率和最大应力曲线。其次,运用ANSYS软件对仿生微结构进行有限元仿真并画出固有频率和最大应力响应曲线。对比分析理论与仿真结果,得出当悬臂梁长、宽、厚及仿生纤毛的高度和半径分别为400, 80, 50, 1000和80 m 时,MEMS矢量水听器的性能得到最优化,同时对理论与仿真结果的差异进行了分析。     

不确定环境下的投标方报价模型研究

在传统投标报价模型的基础上引入风险因子,提出报价要在收益与风险之间进行权衡.放宽了所有投标方的最高成本与最低成本是相同的这一前提假设,并借助Mathematica 5.0推导出投标方的报价模型.最后利用仿真对上述关系进行了分析.     

Photoelectron momentum distributions of Ne and Xe dimers in counter-rotating circularly polarized laser fields

The strong-field ionization of dimers is investigated theoretically in counter-rotating circularly polarized laser fields. By numerically solving the two-dimensional (2D) time-dependent Schrödinger equation (TDSE) with the single-electron approximation (SEA) frame, we present the photoelectron momentum distributions (PMDs) and photoelectron angular distribution (PADs) of aligned Ne and Xe dimers. It is found that the PMDs and PADs strongly depend on the time delays by counter-rotating circularly polarized laser pulses. The results can be explained by the ultrafast photoionization model and the evolution of electron wave packets for Ne and Xe dimers. Besides, We make a comparison of PMDs between Ne atom and Ne dimer.     

Ultrafast photoionization of ions and molecules by orthogonally polarized intense laser pulses: Effects of the time delay

We present the photoelectron momentum distributions(PMDs) and the photoelectron angular distributions(PADs) of He+ ions, aligned H2+ molecules and N2 molecules by intense orthogonally polarized laser pulses. Simulations are performed by numerically solving the corresponding two-dimensional time-dependent Schr?dinger equations(TDSEs) within the single-electron approximation frame. Photoelectron momentum distributions and photoelectron angular distributions present different patterns with the time delays Td, illustrating the dependences of the PMDs and PADs on the time delays by orthogonally polarized laser pulses. The evolution of the electron wavepackets can be employed to describe the intensity of the PADs from the TDSE simulations for N2 molecules.     

Controlling the contributions to high-order harmonic generation from different nuclei of N_2 with an orthogonally polarized two-color laser field

The generation of high-order harmonic and the attosecond pulse of the N2 molecule with an orthogonally polarized two-color laser field are investigated by the strong-field Lewenstein model.We show that the control of contributions to high-order harmonic generation(HHG) from different nuclei is realized by properly selecting the relative phase.When the relative phase is chosen to be φ= 0.4π,the contribution to HHG from one nucleus is much more than that from another.Interference between two nuclei can be suppressed greatly; a supercontinuum spectrum of HHG appears from 40 e V to125 e V.The underlying physical mechanism is well explained by the time–frequency analysis and the semi-classical threestep model with a finite initial transverse velocity.By superposing several orders of harmonics,an isolated attosecond pulse with a duration of 80 as can be generated.     

High-order harmonic generation of the N2 molecule in two-color circularly polarized laser fields

The generation of high-order harmonics and the attosecond pulse of the N₂ molecule in two-color circularly polarized laser fields are investigated by the strong-field Lewenstein model. We show that the plateau of spectra is dramatically extended and a continuous harmonic spectrum with the bandwidth of 113 eV is obtained. When a static field is added to the x direction, the quantum path control is realized and a supercontinuum spectrum can be obtained, which is beneficial to obtain a shorter attosecond pulse. The underlying physical mechanism is well explained by the time-frequency analysis and the semi-classical three-step model with a finite initial transverse velocity. By superposing several orders of harmonics in the combination of two-color circularly polarized laser fields and a static field, an isolated attosecond pulse with a duration of 30 as can be generated.     

ATRP大分子引发剂的合成及应用

原子转移自由基聚合(ATRP)是一种新型的可控/活性聚合技术,现已广泛应用于聚合物分子结构设计、无机材料表面修饰、蛋白质检测以及生物大分子的分离和杀菌防污等.在此类反应过程中涉及的三大要素:单体、引发体系(引发剂、催化剂、配位剂)及反应介质,其中核心要素为ATRP引发剂,其结构与性质是ATRP反应成败的决定因素之一.本文在综述了小分子引发剂的种类与性质及ATRP的反应机理的基础上,着重综述了近年来官能团反应法、偶联反应法及自由基聚合法制备ATRP大分子引发剂的最新进展.同时还综述了大分子引发剂通过ATRP反应在聚合物结构设计中的应用,以及对无机材料和生物材料的表面修饰的最新进展,最后对ATRP引发体系的未来发展与应用进行了展望.     

反相液相色谱-串联质谱法鉴定油菜蜂花粉中的蛋白质及活性肽

基于鸟枪法蛋白质组学分析方法,使用反相液相色谱-串联质谱（RPLC-MS/MS）系统分析油菜蜂花粉蛋白质的胰蛋白酶酶解产物,结合数据库检索,共鉴定到353条肽段。鉴定到的肽段所归属的蛋白质中有239个蛋白质可检索到其分子生物学功能,主要功能为结合活性、酶活性、运输活性、抑制活性等。根据血管紧张素转化酶（ACE）抑制肽活性与多肽构效之间的关系,从鉴定到的肽段中筛选并适当修饰后得到5条可能具有ACE抑制活性的肽段,化学合成肽段后进行了活性验证。结果表明5条肽段均具有良好的活性,其中肽段AELDIVLALF和LAVNLIPFP表现出较高的ACE抑制活性,半数抑制浓度（IC₅₀）分别为（10.65±0.50）μmol/L和（23.66±1.08）μmol/L。该方法速度快,成本低,大大缩短了鉴定周期,达到了高通量筛选生物活性肽的目的。