Title page for etd-0820109-114650


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URN etd-0820109-114650
Author Shin-Chin Lee
Author's Email Address m963020083@student.nsysu.edu.tw
Statistics This thesis had been viewed 5341 times. Download 1784 times.
Department Mechanical and Electro-Mechanical Engineering
Year 2008
Semester 2
Degree Master
Type of Document
Language zh-TW.Big5 Chinese
Title A Density Functional Study on Mechanical and Electronic Properties of Single-Wall Silicon-Carbon Nanotube under the Deformation by External Force
Date of Defense 2009-07-04
Page Count 55
Keyword
  • electronic properties
  • axial strain
  • mechanical properties
  • SiC tube
  • density functional theory
  • Abstract In this thesis, mechanical and electronic properties of a (4,4) SiC nanotube under different tensile strain were investigated by density functional theory (DFT) calculation. The HOMO-LUMO gap of nanotube will significantly decrease linearly with the increase of axial strain. Two different slopes are found before and after an 11% strain in the profile of HOMO-LUMO gap versus strain. The partial density of states, bond order and electronic deformation density were discussed for demonstrating the strain effect on the electronic properties of SiC nanotube under axial strain. The adsorption mechanism of CO on SiC nanotubes with different axial strains as well as the charge distributions after the adsorption were also discussed.
    Advisory Committee
  • Jee-Gong Chang - chair
  • Jeng-Han Weng - co-chair
  • Hsin-Tsung Chen - co-chair
  • Hui-Lung Chen - co-chair
  • Shin-Pon Ju - advisor
  • Files
  • etd-0820109-114650.pdf
  • indicate access worldwide
    Date of Submission 2009-08-20

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