Theoretical Investigation on the Effect of the Kinetic Stability on the Formation of Fullerenes and Their Derivates

由于具有特殊的几何结构和物理化学性质，富勒烯及其外部衍生物自C60(Ih)发现以来就引起人们的广泛研究。目前，实验上合成和分离的富勒烯外部衍生物以卤化富勒烯为主，特别是富勒烯氯化物。通常，有两种形成富勒烯氯化物的反应途径：第一种途径是石墨在电弧放电的同时引入氯源(CCl4)；第二种途径是将电弧放电产生的碳灰与氯化试剂如VCl4和SbCl5在低温下反应，从而形成富勒烯氯化物。在第二种途径中首先合成的母笼被认为是热力学上有利的，但是一些通过第二种途径分离的富勒烯氯化物的母笼在热力学上是不利的。这些富勒烯氯化物的形成机理尚不清楚。因此，理论研究这些富勒烯氯化物及其形成机理对理解和帮助设计新的富勒烯材...Because of the special geometric structure,chemical and physical properties, fullerenes and their exohedral derivatives have been widely investigated since the discovery of Ih-symmetric C60. At present, experimental synthesis and separation of the exohedral derivatives are mostly halogenated fullerenes, especially fullerene chlorides. Generally, there are two reaction pathways for the formation of...学位：理学硕士院系专业：化学化工学院_物理化学学号：2052014115160

符合独立五元环规则的C100（417）Cl28形成机理的密度泛函理论研究

实验上捕获到C100（417）Cl28,但其形成机理仍不清楚。本文采用密度泛函理论（DFT）方法研究了生成C100（417）Cl28的反应机理,考虑了可能的经Stone-Wales（SW）转化、直接氯化和来自于骨架转变等反应路径。结果表明:C100（417）Cl28形成的最主要来源是通过C102（603）骨架转变,即经历氯化、C2失去和SW转变而来。该结果能很好解释实验结果,对富勒烯氯化物的合成提供了理论依据。国家自然科学基金(21573182)资助项目~

On the Crime of Dividing up State-owned Assets Secretly

私分国有资产罪是1997年10月修订施行的《刑法》中新设立的罪名。增设私分国有资产罪的目的在于加强对国有资产的保护，惩治侵吞国有资产的腐败犯罪行为，保证国家机关的正常工作和国有单位的正常管理和生产经营活动。虽然新《刑法》施行已有数年，但由于该罪是新罪名，一方面法律对该罪的犯罪构成要件规定不明确或过于抽象，另一方面在实践中由于该罪的犯罪形式表现复杂，如何准确认定私分国有资产罪存在很大争议。笔者欲立足于司法实践，结合刑法理论对该罪涉及的若干问题进行探讨。本文除引言和结束语外，共分六章。第一章：对私分国有资产罪的犯罪主体进行介绍，并着重对国家机关的范围、国有公司企业的范围、单位的内设机构或分支机构和...The Criminal Law of the People’s Republic of China revised on March 14,1997 prescribes the new crime of dividing up state-owned assets secretly, which provides legal grounds to strengthen the protection of state-owned assets, to punish corruption , to maintain the regular order of state organ and other state-owned unit. Although the The Criminal Law of the People’s Republic of China have been carr...学位：法律硕士院系专业：法学院法律系_法律硕士(JM)学号：X20010812

亚洲货币一体化的道路选择及其实现

建立亚元是罗伯特·蒙代尔这位"欧元先生"提出的大胆设想。但从经济和政治等方面的信息看,亚洲各国与地区之间人员、资本、技术等流动性较差,而且更重要的是,由于众所周知的历史原因,亚洲国家之间存在着比较尖锐的民族矛盾和地缘政治矛盾,货币一体化的政治障碍"道阻且长"

不变形双滴的热毛细迁移及相互作用

对微重力下不变形双滴的非定常热毛细迁移运动进行了数值模拟,采用了有限差分方法对动量方程和能量方程进行离散,使用波前追踪法捕捉运动的不变形液滴界面.研究显示双滴的排列方式对它们的迁移规律和相互作用影响很大,其中影响任一个液滴运动的最主要的因素是另一个液滴的存在所引起的温度场的扰动

An Improved Algorithm for Interactive Dynamic Influence Diagrams

交互式动态影响图(I-dIdS)是基于概率图形理论的多智能体动态交互决策的图模型.为缓解该模型状态空间随时间片增加呈指数级增长的趋势,文中基于行为等价的基本思想压缩状态空间,提出构建EPSIlOn行为等价类的方法:利用有向无环图表示其它AgEnT可能的信度和行为,把信度在空间上接近的模型聚为一类,实现自顶向下合并行为等价模型.该过程避免求解状态空间中的所有候选模型,节省了存储空间和计算时间.模型实例上的仿真结果显示了该算法的有效性.Interactive Dynamic Influence Diagrams(I-DIDs), as graphic models based on probabilistic graphical theory, are proposed to represent, the sequential decision-making problem over multiple time steps in the presence of other interacting agents.The algorithms for solving I-DIDs are haunted by the challenge of an exponentially growing space of candidate models ascribed to other agents over time.In this paper, in order to reduce the candidate model space according the behaviorally equivalent theory, a more efficient way to construct Epsilon behavior equivalence classes is discussed that using belief-behavior graph (BBG).A method of solving I-DIDs approximately is presented, which avoids solving all candidate models by clustering models with beliefs that are spatially close and selecting a representative one from each cluster.The simulation results show the validity of the improved algorithm.国家自然科学基金资助项目(60975052

银鲫两个蛋白合成相关基因全长cDNA的克隆及其特征分析

通过构建雌核发育银鲫心跳期SMARTcDNA质粒文库并从文库中随机挑选克隆测序 ,克隆得到银鲫翻译起始因子 3亚单位 2 (GTIF3 S2 )和翻译延伸因子 1亚单位α(GEF 1α)基因全长cDNA。银鲫翻译起始因子 3亚单位 2基因cDNA全长 12 80bp ,开放阅读框位于 117— 10 91bp之间 ,编码 32 5个氨基酸。其推断的氨基酸序列存在三个WD结构域。该基因在鱼类中为首次报道。银鲫翻译延伸因子 1亚单位alpha基因cDNA全长 1784bp ,开放阅读框位于82— 14 6

Modeling and optimization of RGV system based on improved QPSO

为提高自动小车存取系统中轨道导引小车系统的出入库作业效率,提出了一种基于改进量子微粒群的优化方法。分析了轨道导引小车系统出入库作业任务队列特征,建立了数学模型。在此基础上利用量子微粒群算法进行优化调度,并在该算法中引入高斯变异算子,克服了其容易陷入局部最优的缺点。通过仿真实验表明了方法的可行性和有效性。To improve the performance of Rail-Guided Vehicles System(RGVS) in Automatic Vehicle Storage and Retrieval Systems(AVS/RS),an optimization method based on improved Quantum Particle Swarm Optimization(QPSO) was proposed.Firstly,sequencing characteristics of tasks in RGVS were analyzed,and a mathematical model was established.Then,a QPSO algorithm was proposed to solve the scheduling problem.Meanwhile,the Gaussian mutation operator was introduced into this algorithm to overcome its shortcoming of falling into local convergence.Finally,feasibility and effectiveness of the presented method was shown by experimental results.国家自然科学基金资助项目(60975052);厦门大学国家“211三期工程建设”资助项目(0630-E62000)---

Optimization Electrode of GaN-Based Light-Emitting Diode

针对以蓝宝石为衬底的GaN基发光二极管出现的电流扩展不均的问题,采用有限元方法建立了GaN基发光二极管的三维网络模型,并对四种常见结构的器件进行数值模拟,发现影响二极管电流的因素不仅与发光二极管电极的位置有关,而且依赖于器件的结构参数。以电流扩展不均为指标确定出这四种器件中最佳的电极位置分布,同时对最佳电极位置分布的器件进行了结构参数优化,结果表明当p型金属层方块电阻与n型GaN的方块电阻接近时,电流扩展均匀性最好,且p-GaN的接触电阻和厚度越小,电流扩展越不均匀。A 3D networks model of GaN-based LED on sapphire substrate was built by finite element analysis to simulate the non-uniformity current spreading.Analog modeling was done on the four normal device structures,it was found that the factors effected the current of LED were the position of electrode and the parameters of device structure.Considering the practical structures of GaN-based LED,four LED designs were modeled and the optimal electrode distribution was obtained,meanwhile the structure parameters were optimized.It reveals that the smaller contact resistances and the thickness of p-GaN are,the more non-uniformity of current distribution is.国家自然科学基金(60276029);; 国家863计划(2004AA311020和2006AA032409);; 福建省科技项目和基金(2006H0092,A0210006,2005HZ1018

Electrocatalytic Oxidation of Ethanol on Pt/nanoTiO_2-CNT Complex Catalysts

通过前驱体Ti(OEt)4直接水解和电化学扫描电沉积法制备在Ti基体上的纳米TiO2-碳纳米管复合膜载Pt(Pt/nanoTiO2-CNT)复合催化剂.透射电镜(TEM)和X射线衍射(XRD)结果表明,锐钛矿型纳米TiO2粒子和Pt纳米粒子(粒径均为5～10nm)均匀地分散在碳纳米管表面.通过循环伏安和计时电流法研究表明,Pt/nanoTiO2-CNT复合催化剂(Pt载量为0.32mg·cm-2)具有高达51.8m2·g-1的电化学活性比表面积,常温常压下对乙醇的电化学氧化具有高催化活性和稳定性,乙醇氧化峰电位分别为0.59、0.96和0.24V,氧化峰电流密度分别达到-115、-113和-75mA·cm-2.复合催化剂对乙醇电氧化的高催化活性可归因于nanoTiO2、CNT和Pt纳米粒子的协同催化作用.Pt/nanoTiO2-CNT complex catalysts were prepared by direct hydrolysis of Ti(OEt)4 and electrochemical scan electrodepositing method. The results of XRD and SEM showed that the nanoTiO2 (anatase) and Pt nanoparticles (size about 5～10 nm) were dispersed uniformly on CNT film surface. The electrocatalytic activity of Pt/nanoTiO2-CNT electrode was investigated by cyclic voltammetry and chronopotentiogram. The results indicated that Pt/nanoTiO2-CNT electrode (Pt loading was 0.32 mg·cm-2) exhibited high electrochemical activity surface area (51.8 m2·g-1) and very high electrocatalytic activity and stability for the electro-oxidation of ethanol at room temperature in atmosphere pressure. The oxidation peak potentials of ethanol were 0.59, 0.96, and 0.24 V, and the corresponding oxidation peak current sdensities were -115, -113, and -75 mA·cm-2. The high electrocatalytic activity and good stability can be attributed to the synergistic catalytic effect among nanocomposite.国家自然科学基金(20476001);; 安徽省自然科学基金(00045317)资助项