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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。

The utilization factor of ozone can be increased while the countercheck nets of stainless steel were placed in the pretreatment aqueous solution.

用40目不锈钢网作地电极、采用正脉冲放电能提高放电效率;预处理溶液中放置不锈钢阻挡网有助于提高臭氧的利用率。

Each of the converting elements generates signal charge. K transfer electrodes (k is a positive integer more than 1) are provided for each of the photoelectric converting elements in the column direction. 2k signal lines are connected to the transfer electrodes for adjacent two of said photoelectric converting elements. The 2k signal lines are used to supply driving clock signals to the transfer electrodes for the adjacent two photoelectric converting elements, respectively.

每一个转换单元用于产生信号电荷。K个传输电极(K是大于1的正整数),被提供来用于在行方向中的光电转换单元的每一个。2K条信号线,接到该传输电极,以便邻接两个该光电转换单元,并且用于把驱动时钟信号分别地提供到用于两个相邻的光电转换单元传输电极。

In the above described configuration, the common electrode 9a and the pixel electrodes 7a are opposite each other through the interelectrode insulating film 8, and the holding capacitance 60 is formed using the interelectrode insulating film 8 as a dielectric film.

在如此地进行了构成的状态下,共用电极9a与像素电极7a通过电极间绝缘膜8而相对向,形成以电极间绝缘膜8作为电介质膜的保持电容60。

The lower end of the discharge chamber body is in hermetically-threaded connection with a fixed electrode; an operation electrode is mounted at the upper end of the discharge chamber body; the lower end of the operation electrode can be movably mounted in a conduction fixed ring; a fit clearance between the lower end of the operation electrode and the conduction fixed ring is 0.1 to 0.15mm; the conduction fixed ring is in hermetically-threaded connection with the upper end of the discharge chamber body; the conduction fixed ring is connected with a grounding wire; a discharge chamber is formed between the conduction fixed ring and the fixed electrode at the inner part of the discharge chamber body; the upper end of the operation electrode is fixedly connected with an insulation handle.

本发明公开了一种隔爆放电器,包括由防爆有机玻璃制成的筒形放电室本体,所述放电室本体的下端密封螺纹连接有固定电极;所述放电室本体的上端安装操作电极,所述操作电极的下端可移动地安装在导电固定环内,与导电固定环配合间隙为0.1~0.15mm,导电固定环密封螺纹连接在放电室本体的上端,导电固定环上连接有接地线;在放电室本体的内部导电固定环和固定电极之间形成放电室,所述操作电极的上端固接绝缘手柄。

Trans-Blot Cells and Systems 170-3825 Trans-Blot Cell With Wire Electrodes and PowerPac HC Power Supply, 100120/220240 V, includes 2 gel holder cassettes, buffer tank, lid with power cables, 4 fiber pads, 1 pack precut blot absorbent filter paper (15 x 20 cm), power supply, power cord, instructions 170-3850 Trans-Blot System With Plate Electrodes and PowerPac HC Power Supply, 100120/220240 V 170-3853 Trans-Blot System With Plate Electrodes, Super Cooling Coil, and PowerPac HC Power Supply, 100120/220240 V, includes 2 gel holder cassettes, buffer tank, lid with power cables, 4 fiber pads, 1 pack precut blot absorbent filter paper (15 x 20 cm), power supply, power cord, instructions 170-3910 Trans-Blot Cell With Wire Electrodes, includes 2 gel holder cassettes, buffer tank, lid with power cables, 4 fiber pads, 1 pack precut blot absorbent filter paper (15 x 20 cm) 170-3939 Trans-Blot Cell With Plate Electrodes and Super Cooling Coil, includes 2 gel holder cassettes, buffer tank, lid with power cables, 4 fiber pads, 1 pack precut blot absorbent filter paper (15 x 20 cm) 170-3946 Trans-Blot Cell With Plate Electrodes, includes 2 gel holder cassettes, buffer tank, lid with power cables, 4 fiber pads, 1 pack precut blot absorbent filter paper (15 x 20 cm) Trans-Blot Cell Accessories 170-3912 Super Cooling Coil, required for all high-intensity transfers 170-3913 Gel Holder Cassette, includes 2 fiber pads 170-3914 Fiber Pads, 15.5 x 20.5 cm, 6 170-3920 Trans-Blot Standard Wire Electrode Card, cathode 170-3921 Trans-Blot Standard Wire Electrode Card, anode 170-3922 Trans-Blot Cell Buffer Tank 170-3923 Trans-Blot Cell Lid With Power Cables 170-3943 Trans-Blot Platinum Anode Plate Electrode 170-3944 Trans-Blot Stainless-Steel Cathode Plate Electrode 170-3945 Trans-Blot Plate Electrode Pair, platinum anode and stainless-steel cathode 16 规格:说明: Trans-Blot Plus

电泳转印槽组件 1。缓冲液槽及带有电缆的盖 2。凝胶支架转印夹 3。纤维衬垫 4。电极丝 5。电极板 6。特级冷却芯 Trans-Blot 转印槽是功能灵活的转印设备,可理想地用于多种转印应用。Trans-Blot 转印槽特点包括:*能进行多胶转印,可容纳3 块PROTEAN I xi 凝胶、6块Criterion 凝胶、12块Mini-PROTEAN 3 或Ready Gel 预制胶*多组参数灵活可设,可调节的电压设置(从30 V 的过夜转印到200 V 的1 小时快速实验)*电极间距设置为8 cm 用于标准印迹杂交,或设置为4cm 用于高强度印迹杂交*可选择板式电极:涂有铂金的钛作为正极,不锈钢为负极,能提供高强度电场和比其它电极更高的电流密度。或选择较经济的铂金电极丝*通过特级冷却芯和水循环仪来调节温度―是天然酶(4°C)或高强度转印的理想选择,随着转印时间增加(多达24 小时),不会引起缓冲液耗竭(在高强度转印中必须使用冷却芯,也推荐用于所有板式电极的应用)*带铰链的凝胶支架转印夹能避免滑动,确保凝胶与印迹膜间的紧密接触;每个转印夹都有颜色标记以保证在转印槽中的正确定位 Trans-Blot 转印槽的锁闭凝胶支架转印夹系统。转印夹(1)支撑凝胶(2)印迹膜(3)两侧有纤维衬垫和滤纸(4)确保凝胶三明治内的完全接触。凝胶夹垂直插入缓冲液槽中(5)。

The conclusion is drawn from the simulations that the secondary electrons will go out from the sample surface more easily with the decrease of the half cone angle of tip and the increase of secondary electron energy, tip-sample separation and the distance of the emission site away from the point directly under the tip.

模拟的结果发现针尖半锥角越小、次级电子能量越高、针尖样品间距越大、次级电子出射位置离针尖正下方越远则越有利于次级电子的逸出,此外通过栅网与一个平行于样品表面的地电极的共同作用,会对次级电子产生聚焦作用。

Trans-Blot Plus Cell 170-3990 Trans-Blot Plus Cell With Plate Electrodes and Super Cooling Coil, includes 3 gel holder cassettes, buffer tank, lid with power cables, 6 fiber pads, 1 pack blot absorbent filter paper (26.5 x 28 cm, 30 sheets), roller, stirbar 170-3991 Trans-Blot Plus Cell and PowerPac HC Power Supply Accessories 170-3994 Trans-Blot Plus Gel/Cassette Assembly Tray 170-3995 Fiber Pads, 27 x 28.5 cm, 2 170-3996 Blot Absorbent Filter Paper, 26.5 x 28 cm, 60 sheets 170-3997 Stirbar 170-3998 Trans-Blot Plus Roller, 6 wide 170-39 Trans-Blot Plus Gel Holder Cassette With Clamps 170-4990 Trans-Blot Plus Super Cooling Coil 170-4991 Trans-Blot Plus Platinum Anode Plate Electrode 170-4992 Trans-Blot Plus Stainless-Steel Cathode Plate Electrode 170-4995 Trans-Blot Plus Cell Buffer Tank 170-4996 Trans-Blot Plus Cell Lid With Cables 170-4997 Gel Holder Cassette Clamps, for Trans-Blot Plus cell, set of 3 9 规格:说明:运用Mini-PROTEAN II 多道筛选仪,可以快速有效地筛选 40 种不同的抗体或血清,无需把western

转印条件可调,能在很大的分子量跨度上获得最佳转印效果*耐用的板式电极能产生强大而均一的电场,而且电极在槽内的位置灵活可换;不论运行1、2 或3 个转印夹,电极间距可调节到最小以获得最大的场强和转印效率*凝胶支架转印夹保证整个凝胶与印迹膜表面的均衡接触*转印夹的铰链设计能防止凝胶滑动,便于转印夹组装*颜色标记的转印夹及电极板确保在转印槽内的正确定向*特级冷却芯和冷却水循环器进行温度调节―可理想地用于天然酶或高强度转印,或用于延长转印时间时减少缓冲液的损耗*可选择的组装盘是凝胶三明治和转印夹组装的理想选择 Trans-Blot Plus 转印槽能从单向和双向大格式凝胶上均一、高效地转移蛋白―配合使用新推出的 PowerPac HC 电源,多数蛋白都可在1530 分钟内完成转印。

According to the wire electrode on the trajectory of the different forms of control, WEDM can be divided into three types:* is a copy-control, cutting their lines in advance to create the shape of the workpiece and the same mode *, When the rough machining parts and die at the same time * Clamping in the machine tool table, in the process of cutting wire electrode tightly * close to the edge of model for mobile track, thus cutting out the model * with the same shape and precision to work; another One is the optical tracking control, the cutting in line before the first parts in accordance with drawings by a certain ratio of enlarge depicts an electro-optical tracking maps, drawings will be processed when the machine electro-optical tracking placed on the stage, followed on the stage The first photo has to follow the ink line graphics track movement, and then through the use of electrical, mechanical linkage to control the machine tool table work together with the relative electrode wire Xiang Sixing do sports in order to cut out the pattern and shape of the workpiece to the same; a re - Is a digital process control, advanced digital automatic control technology, machine-driven process in accordance with the geometry of the workpiece before the parameters of good pre-processing CNC automatic completion of the processing, production do not look like without drawing board also plans to enlarge, in front of more than two Control in the form of higher precision processing and broad scope of application, at home and abroad for more than 95% of WEDM have been using digital technology.

根据对电极丝运动轨迹的控制形式不同,电火花线切割机床又可分为三种:一种是*模仿形控制,其在进行线切割加工前,预先制造出与工件形状相同的*模,加工时把工件毛坯和*模同时装夹在机床工作台上,在切割过程中电极丝紧紧地贴着*模边缘作轨迹移动,从而切割出与*模形状和精度相同的工件来;另一种是光电跟踪控制,其在进行线切割加工前,先根据零件图样按一定放大比例描绘出一张光电跟踪图,加工时将图样置于机床的光电跟踪台上,跟踪台上的光电头始终追随墨线图形的轨迹运动,再借助于电气、机械的联动,控制机床工作台连同工件相对电极丝做相似形的运动,从而切割出与图样形状相同的工件来;再一种是数字程序控制,采用先进的数字化自动控制技术,驱动机床按照加工前根据工件几何形状参数预先编制好的数控加工程序自动完成加工,不需要制作模样板也无需绘制放大图,比前面两种控制形式具有更高的加工精度和广阔的应用范围,目前国内外95%以上的电火花线切割机床都已采用数控化。

Wire electrode based on the trajectory of the different forms of control, WEDM can be divided into three types: one is shaped by the imitation controlled cutting in line in advance and work to create the same shape by mold, when processing the workpiece at the same time rough and on the mold clamping in the machine tool table, in the process of cutting wire electrode tightly against the mold on the edge of the track for the mobile, thus cutting out and die on the same shape and precision to the workpiece; another One is the electro-optical tracking control, to carry out the cutting line, before the basis of certain parts to enlarge the proportion of drawings depicts an electro-optical tracking map-processing machines will be placed in design stage of electro-optical tracking, tracking platform Photoelectric first line of graphics has always been to follow the track of the Mexican campaign, and then through the use of electrical, mechanical linkage to control the machine tool table, together with the workpiece so相似形wire electrode relative movement, thus cutting out the same shape and design to the workpiece; again a digital control, the use of advanced automatic control of digital technology-driven machine tool in accordance with the pre-processing parameters according to the workpiece geometry pre-processing procedures for the preparation of a good CNC auto-complete processing, the production does not require appearance on board the need to map to enlarge map of the previous two form of control has a higher machining accuracy and a broad range of applications, both at home and abroad more than 95% have adopted WEDM NC.

根据对电极丝运动轨迹的控制形式不同,电火花线切割机床又可分为三种:一种是靠模仿形控制,其在进行线切割加工前,预先制造出与工件形状相同的靠模,加工时把工件毛坯和靠模同时装夹在机床工作台上,在切割过程中电极丝紧紧地贴着靠模边缘作轨迹移动,从而切割出与靠模形状和精度相同的工件来;另一种是光电跟踪控制,其在进行线切割加工前,先根据零件图样按一定放大比例描绘出一张光电跟踪图,加工时将图样置于机床的光电跟踪台上,跟踪台上的光电头始终追随墨线图形的轨迹运动,再借助于电气、机械的联动,控制机床工作台连同工件相对电极丝做相似形的运动,从而切割出与图样形状相同的工件来;再一种是数字程序控制,采用先进的数字化自动控制技术,驱动机床按照加工前根据工件几何形状参数预先编制好的数控加工程序自动完成加工,不需要制作靠模样板也无需绘制放大图,比前面两种控制形式具有更高的加工精度和广阔的应用范围,目前国内外95%以上的电火花线切割机床都已采用数控化。切割属电加工范畴,是由前苏联人发明的,我国是第一个用于工业生产的国家,当时由复但大学和苏州长风机械厂合作生产的这是最早的机型叫复旦型,我们国内在此基础上发展了快走丝系统。欧美和日本发展了慢走系统LS

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