Please use this identifier to cite or link to this item: http://hdl.handle.net/10603/348321
Title: Theoretical studies of doped C60 and carbon nanotubes
Researcher: Shobna
Guide(s): Ranjan Kumar and Dharamvir, Keya
Keywords: Carbon nanotubes
Dopant atom
Endohedral doping
Fullerenes
Generalized Gradient Approximation
SIESTA
University: Panjab University
Completed Date: 2016
Abstract: This thesis describes various properties of naonoclusters, fullerenes (C60) and single walled carbon nanotubes (SWCNTs) using first principle methods based on density functional theory (DFT). It is well known that when different foreignatoms are encapsulated into the fullerene cage, its structural and electronic properties are altered. The properties of resultant complexes depend upon the nature of dopant atoms and that of the parent fullerene. Theoretical investigation of such species is helpful in assessing there structures, stabilities and properties, and further plays an important role in their experimental investigation. Endohedral fullerenes and carbon nanotubes have found numerous applications in the fields of microelectronics, quantum computing, and biomedicine. In this thesis we discuss some of the properties of endohedral carbon nano structures i.e. Cu, Ag, Al and Ga doped endohedral fullerenes and carbon nanotubes in detail. newline
Pagination: x, 187p.
URI: http://hdl.handle.net/10603/348321
Appears in Departments:Department of Physics

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01_title.pdfAttached File33.85 kBAdobe PDFView/Open
02_acknowledgement.pdf10.3 kBAdobe PDFView/Open
03_abstract.pdf75.28 kBAdobe PDFView/Open
04_contents.pdf122.47 kBAdobe PDFView/Open
05_list of figures.pdf138.45 kBAdobe PDFView/Open
06_list of tables.pdf59.98 kBAdobe PDFView/Open
07_chapter1.pdf1.81 MBAdobe PDFView/Open
08_chapter2.pdf1.33 MBAdobe PDFView/Open
09_chapter3.pdf7.87 MBAdobe PDFView/Open
10_chapter4.pdf5.18 MBAdobe PDFView/Open
11_chapter5.pdf876.21 kBAdobe PDFView/Open
80_recommendation.pdf876.21 kBAdobe PDFView/Open
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