Quantum mechanical study of electronic properties of Zigzag nanotubes (9,0) (SWCNTs)
Other Title(s)
دراسة في ميكانيك الكم للصفات الإلكترونية للأنابيب النانوية نوع زكزاك (9,0) (أنبوب النانوكاربون أحادية الطبقة)
Author
al-Ani, Huda Najm al-Din Abd al-Latif
Source
Issue
Vol. 14, Issue 31 (31 Dec. 2016), pp.196-204, 9 p.
Publisher
University of Baghdad College of Science
Publication Date
2016-12-31
Country of Publication
Iraq
No. of Pages
9
Main Subjects
Abstract EN
Quantum calculations on the most stable structure were carried out for calculating the electronic properties, energies and the charge density at the Carbon and Hydrogen atoms by Semi-empirical method (PM3) of zigzag carbon nano tube CNT (9,0) (SWCNTs), at the equilibrium geometry depending on the pictures of Zigzag CNT(9,0) which was found to has D3d symmetry point group by applying for (Gaussian 2003) program.
In this work the results include calculation the relation for axial bonds length, which are the vertical C-C bonds (annular bonds) in the rings and bonds length which are in the outer ring that called the circumferential bonds.
Also include a different kind of vibration modes like breathing, puckering, and deformation bending.
They allow a comparative view of the charge density at the carbon atom too.
The aromaticity is graded according to the space distribution of the atoms in zigzag nano tube (9,0), the nature of their molecular orbitals depend on, their symmetry, and chirality.
Many studies were done measurements to characterize nanotube mechanical properties for successful applications in nanotechnology.
American Psychological Association (APA)
al-Ani, Huda Najm al-Din Abd al-Latif. 2016. Quantum mechanical study of electronic properties of Zigzag nanotubes (9,0) (SWCNTs). Iraqi Journal of Physics،Vol. 14, no. 31, pp.196-204.
https://search.emarefa.net/detail/BIM-722719
Modern Language Association (MLA)
al-Ani, Huda Najm al-Din Abd al-Latif. Quantum mechanical study of electronic properties of Zigzag nanotubes (9,0) (SWCNTs). Iraqi Journal of Physics Vol. 14, no. 31 (2016), pp.196-204.
https://search.emarefa.net/detail/BIM-722719
American Medical Association (AMA)
al-Ani, Huda Najm al-Din Abd al-Latif. Quantum mechanical study of electronic properties of Zigzag nanotubes (9,0) (SWCNTs). Iraqi Journal of Physics. 2016. Vol. 14, no. 31, pp.196-204.
https://search.emarefa.net/detail/BIM-722719
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 202-204
Record ID
BIM-722719