FED碳纳米管图形阴极热解工艺以及分子动力学模拟碳纳米管

摘要

i论文题目：FED碳纳米管图形阴极热解工艺及分子动力学模拟碳纳米管

专业：微电子学与固体电子学 I

导师： 朱长纯 签名：

研究生：李 琰 学号：3100030006 签名：

摘 要

热解法是一种碳纳米管（Carbon Nanotube）制备的先进工艺。这种工

艺制备的碳纳米管具有很好的方向性以及极佳的场致电子发射性能。而具

有图形的FED场致发射器件（Field Emission Display）阴极是碳纳米管目

前的主要应用方向。这里提出了一种用半导体工艺方法实现碳纳米管阴极

阵列的方法，这种方法和热解工艺流程相结合，可以制备出具有简单几何

图形的碳纳米管定向阵列。 同时使用SEM（Scan Electron Microscope）以

及TEM（Tunnel Electron Microscope）分析了这种工艺制备的碳纳米管几

何参数，这些参数表明了这种方法在制备FED阴极阵列方面的独特优越

性。

分子动力学方法是一种有效模拟分子以及原子系统运动变化的计算机

模拟方法。因为采用了经典的牛顿运动定律以及复杂的势函数，使得它在

算法上容易实现，同时精度适中，便于快速计算复杂的多原子体系。这里

使用自行开发的MDSIM (Molecular Dynamic Simulation) 系统模拟了碳

纳米管及其构成的复杂碳原子系统的物理、机械特性：首先对两根开口碳

纳米管碰撞过程进行了模拟，结果表明碳纳米管在打断后，断裂处具有非

常强的活性，这种特性使得它很容易组成各种纳米机械装置；继而模拟了

一个脱氢苯环与碳纳米管侧壁发生碰撞的情况，结果相当令人惊奇，在两

者相对运动速度适当的情况下，它们将成为一个新的稳定分子；最后模拟

了一个具有轴承结构的碳纳米管系统的转动情况，结果很好，碳纳米管层

之间只存在范德华力，使得它们运动时受到的摩擦力相当小。上面的各种

模拟结构都预示了碳纳米管在未来纳米机械领域的广泛应用。

关键字：碳纳米管 热解法 阴极 阵列 图形 分子动力学 模拟

论文类型：应用基础西安交通大学硕士学位论文

iiSubject: Pyrolysis Growing of Patterned Carbon Nanotube Emitter Used

in FED and Molecular Dynamics Simulation of Carbon

Nanotubes

Specialty: Microelectronics and Solid State Electronics I

Advisor: Zhu Changchun Signature：

No. : 3100030006

Student: Li Yan Signature：

Abstract

Pyrolysis is an advanced technology in Carbon Nanotubes (CNTs)

production because of the well-aligned array and good field emission properties

of the CNTs produced by the method. By using semiconductor fabrication

method, patterned array of CNTs is also fabricated in pyrolysis technology,

though it’s still simple geometry patterned. SEM (Scan Electron Microscope)

and TEM (Tunnel Electron Microscope) analysis results show the geometry

parameters of the CNTs here. Arguments and suggestions of the equipment used

in pyrolysis technology are also discussed here for future improvements.

MD (Molecular Dynamics) method is widely used for its easy arithmetic

and moderate precision. By using MDSim (Molecular Dynamics Simulation)

software, CNTs are simulated. First, a collision process involving two pieces of

open ended CNTs is simulated. Results show the strong activity of the atoms on

the two ends of the CNTs. Then another collision happens between a benzyne

and a piece of CNTs. Simulation result implies that new molecular may

generated composed of the benzyne and the piece of CNTs! Finally, a bearing

machine consists of two telescopic pieces of CNTs is simulated. Also little

friction is observed between the CNTs and it functions very well. All results

suggest that CNTs is the natured material of future nano-mechanic device.

Key Words: CNTs; Pyrolysis; Patterned; Array; FED; MD;

Thesis Classification: Applied Fundamental Research目录

iii目 录

摘 要......................................................................................................................i

Abstract...................................................................................................................ii

目 录...................................................................................................................iii

第1章 绪言......................................................................................................1

1.1 纳米技术发展与应用.............................................................................1

1.2 碳纳米管简介.........................................................................................2

1.2.1 碳纳米管的结构特性..................................................................2

1.2.2 碳纳米管的物理特性..................................................................5

1.3 碳纳米管作为场致发射阴极材料的应用现状....................................6

1.4 纳米材料数值模拟方法在碳纳米管材料上的应用...........................8

1.5 本课题的研究内容以及意义.................................................................9

参考文献......................................................................................................10

第2章 FED碳纳米管阴极制备技术..............................................................12

2.1 碳纳米管制备工艺概述......................................................................12

2.1.1 电弧放电法...............................................................................12

2.1.2 化学气相淀积（CVD）法......................................................13

2.1.3 金属有机络合物热解法..........................................................14

2.1.4 碳纳米管的其它制备方法......................................................15

2.1.5 各种工艺制备碳纳米管在FED中的应用............................15

2.2 碳纳米管的热解制备工艺..................................................................16

2.2.1 碳纳米管热解制备设备以及流程..........................................16

2.2.2 双温区设备的实现...................................................................18

2.2.3 单温区设备实现大面积碳纳米管阵列..................................19

2.2.4 碳纳米管热解工艺条件的模拟..............................................21