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June-2022
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Journal of Emerging Technologies and Innovative Research ( An International Scholarly Open Access Journal, Peer-reviewed, Refereed Journal )
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UGC and ISSN approved 7.95 impact factor UGC Approved Journal no 63975
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JETIR2206892
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405045
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Title
A density functional Study of Interaction of Zn Atom on Single Walled Carbon Nanotube (8,0)
Authors
Abstract
First principal of density function theory was implemented to investigate interaction of Zinc (Zn) atom on pristine Single Walled Carbon Nanotube (SWCNT) (8, 0). To predict interaction we tested four different sites of adsorption and found electronic properties such as Band Structure (BS), Density of State (DOS), Energy Gap (EG), Binding Energy (EG), Charge transfer (Qt) and geometrical properties such as change Bond length, Bond angle, Binding distance. The binding energy, energy gap and charge transfer shows that Zn atom is physisorbed on SWCNT. The electronic and geometrical properties of pristine SWCNT are minutely changed.
Key Words
Carbon Nanotube, DFT, SWCNT, Zinc
Cite This Article
"A density functional Study of Interaction of Zn Atom on Single Walled Carbon Nanotube (8,0) ", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.9, Issue 6, page no.i746-i754, June-2022, Available :http://www.jetir.org/papers/JETIR2206892.pdf
ISSN
2349-5162 | Impact Factor 7.95 Calculate by Google Scholar
An International Scholarly Open Access Journal, Peer-Reviewed, Refereed Journal Impact Factor 7.95 Calculate by Google Scholar and Semantic Scholar | AI-Powered Research Tool, Multidisciplinary, Monthly, Multilanguage Journal Indexing in All Major Database & Metadata, Citation Generator
Cite This Article
"A density functional Study of Interaction of Zn Atom on Single Walled Carbon Nanotube (8,0) ", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.9, Issue 6, page no. ppi746-i754, June-2022, Available at : http://www.jetir.org/papers/JETIR2206892.pdf
Publication Details
Published Paper ID: JETIR2206892
Registration ID: 405045
Published In: Volume 9 | Issue 6 | Year June-2022
Page No: i746-i754
Country: Thane, MAHARASHTRA, India .
Area: Physics
ISSN Number: 2349-5162
Publisher: IJ Publication
Published Paper URL :: https://www.jetir.org/view?paper=JETIR2206892
Published Paper PDF: https://www.jetir.org/papers/JETIR2206892
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