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Electronic and mechanical properties of chemically functionalized nanowires.

机译：化学功能化纳米线的电子和机械性能。

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摘要

Organic and inorganic nanostructured materials, nano- and mesoscale objects and devices, and their integration into existing microelectronic technologies have been at the center of recent fundamental and applied research in nanotechnology. One of the critical needs is to develop an enhanced predictive capability of structure-property correlations and enable robust high performance systems by design. My thesis work was concerned with the theoretical and experimental studies of electronic and mechanical properties of chemically functionalized nanowires.;I will first describe a theoretical approach for investigating structure-property correlations in atomic-sized metallic wires based on the Density Functional Theory (DFT) for structure calculations and the Non-equilibrium Green's Function (NEGF) technique for electronic transport properties simulations. This synergistic approach is shown to yield the atomic structure of the smallest niobium nanowires. Furthermore, the method was applied to simulate electronic properties of chemically functionalized graphene nanoribbons.;Further, I will demonstrate an experimental technique for simultaneous measurements of force and conductance in atomic-size objects based on quartz tuning fork piezoelectric sensors. A peculiar scaling effect, relevant for a broad range of test and measurement applications, namely the squeeze film effect, was observed during the development of the sensors. Using theoretical analysis based on finite element simulations of the hydrodynamic behavior of the sensors in a broad range of ambient conditions, I explain the observed phenomenon.
机译：有机和无机纳米结构材料，纳米尺度和中尺度的物体和装置，以及它们与现有微电子技术的集成一直是纳米技术领域近期基础和应用研究的中心。关键需求之一是开发增强的结构-属性关联的预测能力，并通过设计实现可靠的高性能系统。我的论文工作涉及化学功能化纳米线的电子和机械性能的理论和实验研究。；我将首先描述一种基于密度泛函理论（DFT）的研究原子尺寸金属线中结构-特性相关性的理论方法。用于结构计算和用于电子传输特性模拟的非平衡格林函数（NEGF）技术。该协同方法显示出最小的铌纳米线的原子结构。此外，该方法还被用于模拟化学功能化石墨烯纳米带的电子性能。此外，我将演示一种基于石英音叉压电传感器的同时测量原子尺寸物体的力和电导率的实验技术。在传感器的开发过程中，观察到了与广泛的测试和测量应用相关的特殊缩放效应，即挤压膜效应。使用基于传感器在广泛环境条件下的流体力学行为的有限元模拟的理论分析，我解释了观察到的现象。

著录项

  • 作者

    Bidasaria, Sanjay K.;

  • 作者单位

    Georgia Institute of Technology.;

  • 授予单位 Georgia Institute of Technology.;
  • 学科 Physics Condensed Matter.
  • 学位 Ph.D.
  • 年度 2009
  • 页码 148 p.
  • 总页数 148
  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 O49;
  • 关键词

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