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In this thesis,based on the DFT+NEGF first-principles method,we construct a lead-molecule-lead sandwich system with single benzene-based molecule to investigate the relationship between the structure and properties of the molecular devices and the factors that influence properties of the molecular devices.Our computational investigations on these molecular devices are primarily concentrated on the effect of contact geometry between molecules and electrodes,the effect of side groups,the effect of different torsion angle between two phenyl rings and the effect of external electric field.This thesis consists of five chapters:In Chapter one,we mainly introduce the research background and development of the molecular electronics,including the experimental fabrication of molecular electronic components and theoretical simulation methods.Afterwards we discuss the questions that need to be solved in this area.Finally,the main contents of this thesis are listed.In Chapter two,we introduce the theoretical methods used in this thesis, including the main first-principles calculation methods,i.e.,the Density-Functionmethod and nonequilibrium Green\'s function.
本论文拟采用密度泛函理论和非平衡格林函数相结合的第一性原理计算方法,选取苯基小分子作为研究对象,构建了金属电极/有机小分子/金属电极三明治结构体系,系统地研究了苯基分子器件结构的改变与分子电输运性质之间的关系以及影响分子器件电输运性质的相关因素,其中重点研究了分子与电极间可能的接触结构改变、官能团、分子间的扭转角以及外电场对苯基分子电输运性质的影响,本论文主要包括以下五个章节的内容:第一章为综述部分,主要介绍了分子电子学产生的背景、分子器件的研究意义、当前研究分子器件的实验和主要理论方法,以及目前在研究分子器件中存在的一些问题,最后给出了本论文的主要研究内容和技术路线。
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Xing good side will pull a surface agent, on the case of on-board with two sharp stick rolling rolling open Sprinkle green onion, salt and pepper stacked up into a circular disk.
将饧好的面揪一个面剂,放在案板上用两头尖擀杖擀开撒上葱花、椒盐叠起来,盘成圆形。
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When you define a triangle, you are basically defining the points in either a clockwise or counter-clockwise direction (depending on which side of the triangle you're on, of course).
当你定义一个三角形,你基本上确定了它的点,要么以顺时针或逆时针方向(取决于你看到的三角形的哪一方)。
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Individuals were taking on unprecedented debt at the same time as a long housing bubble made them feel wealthy (and less -concerned with derring-do abroad)— a scenario echoed, of course, on this side of the Atlantic.
个人承担着前所未有的债务,与此同时长期的房地产泡沫又让他们觉得自己很富有(并且对海外的那些冒失举动减少了关注)——此番景象自然也波及到了大西洋的这一边。
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"In the case of a ship registered on or after 1 January 1974, a scale of decimetres, or of metres and decimetres, denoting a draught of water shall be marked on each side of its stem and of its stern post."
船舶如在2974年2月2日或之后注册,须在其船首柱两旁及船尾柱两旁标记表示吃水的分米制量度尺、或米与分米制量度尺
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The method is as follows that the two ends of a nanometer are fixed on two pivots and an axial micro-pulling force T is applied on the nanometer; an electrode is arranged on the middle part of the side of the nanometer and an alternate voltage is applied on the electrode to motivate the nanometer to generate resonance, and therefore, the natural frequency f of the nanometer is measured and acquired; according to the material characteristics and the geometry characteristics of the nanometer as well as the boundary condition of the nanometer material, the relation between the natural frequency and the axial pulling force of the nanometer, namely the f-t curves of the nanometer, can be calculated by a vibration equation; according to the measured natural frequency f, the size of the micro-pulling force T can be acquired.
该方法将一根纳米材料的两端固定在两个支点上,给纳米材料施加一个轴向的微小拉力T;在纳米材料的侧面,位于该纳米材料的中部放置一个电极,在电极上施加一个交变的电压激励纳米材料使其发生共振,测得纳米材料的固有频率f;根据纳米材料的材料特性和几何特征以及纳米材料的边界条件,由振动方程计算出该纳米材料的固有频率与所受的轴向拉力的关系,即纳米材料的f-T曲线;根据上述测得的固有频率f,得到微小拉力T的大小。
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I sat in the cafe by the cracker factory You were practicing a magic trick And my thoughts got rude, As you talked and chewed On the last of your pick and mix Said your mistaken if your thinking that I haven't been caught cold before As you bit into your strawberry lace And then a flip in your attention in the form of a gobstopper Is all you have left and it was going to waste Your past-times, consisted of the strange And twisted and deranged And I love that little game you had called Crying lightning And how you like to aggravate The ice-cream man on rainy afternoons The next time that I caught my own reflection It was on it's way to meet you Thinking of excuses to postpone You never look like yourself from the side But your profile did not hide The fact you knew I was approaching your throne With folded arms you occupy the bench like toothache Saw them, puff your chest out like you never lost a war And though I try so not to suffer the indignity of a reaction There was no cracks to grasp or gaps to claw And your past-times, consisted of the strange And twisted and deranged And I hate that little game you had called Crying lightning And how you like to aggravate The icky man on rainy afternoons Uninviting But not half as impossible as everyone assumes You are crying lightning Your past-times, consisted of the strange And twisted and deranged And I hate that little game you had called Crying lightning Crying lightning Crying lightning Crying lightning Your past-times, consisted of the strange And twisted and deranged And I hate that little game you had called Crying
我坐在咖啡厅的饼干工厂你练习了魔法把戏和我的想法有粗鲁,当你说话和咀嚼最后你挑选和混合如果你说你的错误思想我一直没感冒了当你咬到你的草莓的花边然后在你的注意力在翻了个大糖球好形式你已经离开,就会浪费你的past-times,组成了奇怪的和扭曲和混乱我爱那小游戏,你打过电话哭闪电您想如何加重男人在雨季的冰淇淋下一次,我抓住了我自己的倒影这是在它的方式来满足你思考的借口拖延你从不看起来像你自己从侧面但你并不隐瞒事实上,你知道我很接近你的宝座上你用双臂占据板凳像牙痛看见他们,像你一样。至终,你的胸扁从来没有输过一场战争虽然我试着不那么受了侮辱没有很好地掌握或空白,爪和你的past-times,组成了奇怪的和扭曲和混乱我讨厌这样的小游戏,你打过电话哭闪电您想如何加重在雨天的下午粪便人并狡滑但是不是每个人都承担一半是不可能的你在哭你的past-times,组成了奇怪的和扭曲和混乱我讨厌这样的小游戏,你打过电话哭闪电哭闪电哭闪电哭闪电你的past-times,组成了奇怪的和扭曲和混乱我讨厌这样的小游戏,你打过电话哭没赏分,你又这么长肯定难找到人答题啊下次记的要+分快给我分吧
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At this moment blast has been blown (that as it happens is an off-street), seemed suddenly to be endured on my face one fist like ache, look later, a bunch of mop that is the decoration of doorway of a drug-store on the side and broom are put in a white plastic painful in be blown by wind, as it happens is hit in my right face, I am calling merchant, one woman runnings to ask how to return a responsibility, the thing that I say you is blown by wind hit on my face very ache, she is spoken unexpectedly perhaps is the thing that you struck me!
这时一阵风吹过,忽然我脸上好象被挨了一拳了似的疼,回头一看,是旁边的一个杂货店门口摆设的一捆拖把及扫帚放在一个白色塑料痛里被风刮倒,正好打在我的右脸,我呼唤着店主,一妇女跑出来问怎么回事,我说你的东西被风吹到打在我脸上很疼,她居然说出&说不定是你撞到了我的东西吧!&
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I think it's a bit wrong, school, after all is for the students to learn, it should be filled with the knowledge of the breath, if the school as attractions, visitors can buy a ticket at after visiting here in take a picture and a shadow, and there, so that schools will become what ah, on the one hand, will affect students' sentiment, on the other hand, the school, the school work after be spots on the side, which is dedicated to the development of the school, or focus on how to attract more tourists to revenue?
我觉得这样有点不妥吧,学校,毕竟是供学子们学习的地方,它应该是充满了知识的气息,如果把学校当成景点了,游客购买了票之后就可以随意进去参观,这里拍个照,那里合个影,这样学校会成什么样子啊,一方面肯定会影响学生们的情绪,另一方面,学校成为景点之后,学校工作的侧重点该放在哪呢,是专注与学校的发展,还是专注于怎样吸引更多的游客来创收呢?
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I think it's a bit wrong, school, after all is for the students to learn, it should be filled with the knowledge of the breath, if the school as attractions, visitors can buy a ticket at after visiting here in take a picture and a shadow, and there, so that schools will become what ah, on the one hand, will affect students' sentiment, on the other hand, the school, the school work after be spots on the side, which is dedicated to the development of the school, or focus on how to attract more tourists to revenue?
wo觉得这样有点不妥吧,学校,毕竟是供学子们学习旳地方,它应当是充满le知识的气息,假如把学校当成景点了,游客购买了票之后就行随意进去参观,这里拍个照,那里合个影,这样学校会成啥样子啊,─方面绝对会影响学生们的情绪,另一方面,学校成为景点之后,学校工作的侧重点该放在哪呢,是专注与学校的发展,仍然专注于怎么样吸引更多的游客来创收呢?
- 相关中文对照歌词
- On This Side Of The Moon
- On The Sunny Side Of The Street
- On The Sunny Side Of The Street
- On The Other Side Of The Tracks
- On The Sunny Side Of The Street
- On The Sunny Side Of The Street
- On The Sunny Side Of The Street
- On The Sunny Side Of The Street
- On The Sunny Side Of The Street
- On The Side Of Angels
- 推荐网络例句
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Lugalbanda was a god and shepherd king of Uruk where he was worshipped for over a thousand years.
Lugalbanda 是神和被崇拜了一千年多 Uruk古埃及喜克索王朝国王。
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I am coming just now,' and went on perfuming himself with Hunut, then he came and sat.
我来只是现在,'歼灭战perfuming自己与胡努特,那麼,他来到和SAT 。
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The shamrock is the symbol of Ireland and of St.
三叶草是爱尔兰和圣特里克节的标志同时它的寓意是带来幸运。3片心形叶子围绕着一根断茎,深绿色。