The Research of Electro-optic Modulation Devices Based on Graphene and Black Phosphorus

二维材料在微电子器件领域是一种具有非常巨大发展潜力的材料。它与传统的三维的材料相比具有非常多的新颖的特性。许多二维材料具有非常高的载流子迁移率、非常宽的工作波长、很小的集成封装尺寸、大规模生产成本较低的优良性能。本文主要研究了石墨烯与黑磷这两种比较典型的二维材料。 电光调制器是连接电信号与光信号的一种极其重要的光电器件，在光通信领域扮演着非常重要的角色。与传统的电光晶体相比，基于石墨烯的高性能电光调制器件在工作带宽、调制深度、集成整合度、与半导体器件技术的兼容性等方面表现非常优秀。在设计基于石墨烯的电光器件时，运用软件进行模拟仿真时非常有必要的一步。因此本文主要介绍了基于二维材料的软件仿真方...Two-dimensional material has great potential in the field of microelectronic devices. Compared with the traditional three-dimensional material, it has many new features. Many two-dimensional materials have very high carrier mobility, very wide operating wavelength, very small integrated package size, and low production cost. In this paper, we mainly study two typical two-dimensional materials, gra...学位：工程硕士院系专业：物理科学与技术学院_工程硕士(电子与通信工程)学号：3432014115280

Preface for Special Issue on Theoretical and Computational Electrochemistry

电化学是一门古老的科学,有着悠久、光辉的历史.近年来,能源、环境等问题在世界范围内被大众广泛认识且越来越受到各国政府的重视,很多重要的能源体系和; 过程,如能量转化和存储、太阳能利用等,都是属于电化学所研究的范畴.因此,电化学这门学科在近年来迸发出新的活力.Electrochemistry, an old branch of science, has a long and glorious; history. It has become again an exciting and vibrant research field.; Recently, tremendous attentions have been paid on electrochemcistry; because of its close relevance to energy and environment related issues; that have caused wide public concerns and received at tentions from many; governments. Many important energy systems and devices, including energy; conversion and storage, as well as solar energy utilization, involve; electrochemical processes that traditionally fall into the research; themes of electrochemistry

锐钛矿TiO（101）表面电子能带结构的理论研究

二氧化钛作为一种理想的光催化和光电转换半导体材料,受到了广泛的关注和研究,其表面的电子能带结构作为其本征的化学性质之一,决定着表面上氧化还原反应发生的可能性.对二氧化钛表面电子能带结构进行深入研究对于我们从微观上认识并改良二氧化钛这一光电催化材料,以及进一步开发利用更好的光催化材料都具有非常好的指导意义.本论文采用密度泛函理论,计算研究了锐钛矿TiO（101）表面的电子能带结构,并通过与金红石TiO（110）晶面的对比,系统分析了两个表面电子能带结构的不同以及水分子的溶剂化作用对电子能带结构的影响.国家自然科学基金项目(No.21373166)资助

Writing for communication:A proposal for reform in teaching

In the whole English education in China, the teaching of writing has long been under-emphasized, which may account for the unsatisfactory state of the syllabus, textbooks, and methodology currently in use. The objective of this thesis is to put forward a proposal for reform in teaching English writing at the tertiary level in China. The thesis is composed of two parts: In the first part, writi...学位：文学硕士院系专业：外文系_英语语言文学学号：19970400

Research on the legal issue of contract and management of Limited Company

有限公司承包经营是现代公司制度与我国特有的承包经营制度融合的产物。由于《公司法》没有对此作出规定，承发包双方对公司承包经营“反言”诉讼的现象颇多；司法实践对有限公司承包经营效力的看法也颇不一致。本文针对该问题从法学理论与实证两个角度采用历史分析、归纳推理、比较分析、实证分析等研究方法，对有限公司承包经营的相关法律问题进行了探讨，以期法律能够更好地规制有限公司承包经营。本文除引言和结论外，共分为四章。 第一章首先介绍了承包经营制度产生的背景及承包经营与现代公司形式融合产生公司治理形态变异的现实基础；其次，从实践中公司承包经营的案例入手归纳出公司承包经营的特征及含义，并对所涉法律关系的主体、客体...In practice, limited companies, especially many middle and small scale limited companies adopt contract management pattern. Because there are some conflicts between the contract management pattern and the modern government structural theory of company, simultaneously there is no explicit stipulation regarding this in "Law of Corporation", therefore considerable of "anti-Yan" litigations were provi...学位：法学硕士院系专业：法学院法律系_民商法学(含劳动法学、社会保障法学)学号：1292007115017

Design and Implementation of City Commercial Bank Customer Relationship Management System Based on Web

随着我国经济的发展与世界各国经济的融合，我国金融行业的竞争越来越激烈，“以客户为中心”的经营思想逐步深入人心，客户成为各大银行的重要目标，重要战略资源。作为中国银行重要组成部分和特殊群体---城市商业银行其经营策略逐渐朝抢占垄断行业和优质客户方向倾斜，为了在竞争激烈的市场中抢得先机，站稳脚步，快速实现发展，就必须获得高端的、优质的客户。因此构建基于银行客户关系管理的运营模式对于商业银行的发展具有非常重要的意义，对商业银行提高客户的忠诚度、挖掘潜在客户，增加客户价值和自身的核心竞争力是非常有帮助的。 本文以某城市商业银行的客户关系管理为研究对象，从其客户管理需求现状和问题出发，对其客户管理业务...As the economic development of China and the world economic integration, China’s financial industry is more and more competitive. The management idea of Customer-Centric goes deep into people’s heart. Customers have become an important garget and strategic resources for Banks. As an important part and special group of the bank of China, Commercial Banks whose business strategy gradually tilted tow...学位：工程硕士院系专业：软件学院_工程硕士(软件工程)学号：X201123023

Migrant worker's interpersonal contact activities: status,problems and prospects

论文摘要本论文采用深度访谈和非参与式观察的方法对农民工的人际交往进行研究。本研究把农民工的人际交往分成三个阶段：在农村时的交往、在城乡流动中的交往、进城后的交往。在每个阶段，我们都对农民工的交往形式、交往内容、交往影响因素进行了详细的分析，提出了现阶段农民工交往的困境和弊端，在论文的最后我们对这些弊端进行了总括，并从大众传播的角度提出了解决现有困境的对策。我们的研究表明，在农村，农民的交往正在由传统的交往向现代的交往转变，交往的形式、内容都发生了变化，其中最明显的一点是交往中的利益至上原则更加凸显，另外个人交往关系参与到公共关系中产生了新的庇护关系，我们还指出了大众传播在交往观念、交往形式、交...Abstract：Using depth interviews and non-participatory observation method, this thesis studied the Interpersonal Communication of migrant workers. In this study, the author divided the migrant workers’ interpersonal communication into three stages: the contact in the rural areas, in urban and the contact in the process of flowing between rural areas and urban areas. At each stage, the author analys...学位：文学硕士院系专业：人文学院新闻传播系_新闻学学号：2005130019

Solid-to-liquid phase transitions of sub-nanometer clusters enhance chemical transformation

1925年Taylor提出催化活性位点的概念后，化学家们就致力于表征活性位点的微观结构，并理解活性位点的原子特殊排列是如何加速化学反应。近年来，越来越多的原位谱学和显微学表征以及电子结构计算研究表明在反应过程中催化剂结构是在不断变化的。催化剂动态结构演化往往发生在宏观时间尺度，而基元反应往往发生在纳/皮秒的时间尺度，因此在研究基元反应过程时催化剂活性位结构仍然被认为是静态不变的。但是，如果催化剂结构动态变化的时间尺度与化学反应的时间尺度一致将会出现什么情况呢？在此之前还未有研究工作报道从这一角度来研究催化剂结构动态变化对基元反应的影响。 程俊教授课题组首次结合从头算分子动力学模拟和自由能计算方法详细研究了模型基元反应与金团簇结构动态演化耦合效应，准确计算沿反应坐标的自由能曲线，获得反应自由能变化和能垒。 该研究工作在程俊教授指导下完成，博士生孙娟娟为第一作者。【Abstract】Understanding the nature of active sites is crucial in heterogeneous catalysis, and dynamic changes of catalyst structures during reaction turnover have brought into focus the dynamic nature of active sites. However, much less is known on how the structural dynamics couples with elementary reactions. Here we report an anomalous decrease in reaction free energies and barriers on dynamical sub-nanometer Au clusters. We calculate temperature dependence of free energies using ab initio molecular dynamics, and find significant entropic effects due to solid-to-liquid phase transitions of the Au clusters induced by adsorption of different states along the reaction coordinate. This finding demonstrates that catalyst dynamics can play an important role in catalyst activity.Funding support was provided by National Natural Science Foundation of China (Grant Nos. 91745103,2181101075, and 21621091). 研究工作得到国家自然科学基金委“碳基能源转化利用的催化科学”重大研究计划培育项目的支持