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April-2019
eISSN: 2349-5162
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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 Approved Journal no 63975(19)
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UGC and ISSN approved 7.95 impact factor UGC Approved Journal no 63975
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Published Paper ID:
JETIR1904240
Registration ID:
203316
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Title
DFT Studies on the Adsorption of CFC over the Copper Embedded Nitrogen Doped Graphene
Abstract
We report an investigation of the adsorption of chlorofluorocarbons (CF2Cl2, CHFCl2, CH2FCl, and CHFCl2) over the Cu embedded nitrogen-doped graphene system using density-functional theory (DFT). Our calculations found that embedded copper metal atom interacts weakly with the fluorine atom present in the CFC molecules. The optimal parameters were used to calculate the adsorption energy, LUMO, HOMO and density of states (DOS).
Key Words
chlorofluorocarbons, adsorption, nitrogen-doped graphene, density functional theory, Copper
Cite This Article
"DFT Studies on the Adsorption of CFC over the Copper Embedded Nitrogen Doped Graphene", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.6, Issue 4, page no.276-288, April-2019, Available :http://www.jetir.org/papers/JETIR1904240.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
"DFT Studies on the Adsorption of CFC over the Copper Embedded Nitrogen Doped Graphene", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.6, Issue 4, page no. pp276-288, April-2019, Available at : http://www.jetir.org/papers/JETIR1904240.pdf
Publication Details
Published Paper ID: JETIR1904240
Registration ID: 203316
Published In: Volume 6 | Issue 4 | Year April-2019
DOI (Digital Object Identifier): http://doi.one/10.1729/Journal.22070
Page No: 276-288
Country: -, -, - .
Area: Engineering
ISSN Number: 2349-5162
Publisher: IJ Publication
Published Paper URL :: https://www.jetir.org/view?paper=JETIR1904240
Published Paper PDF: https://www.jetir.org/papers/JETIR1904240
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