Research Article

DENSITY FUNCTIONAL THEORY INVESTIGATION OF DOUBLE SILICON DECORATED FULLERENES AND SINGLE WALLED CARBON NANOTUBES FOR THE DETECTION AND ADSORPTION OF IBUPROFEN

Volume: 8 Number: 1 February 28, 2020
Cemal Parlak , Özgür Alver *
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Eskişehir Teknik Üniversitesi Bilim ve Teknoloji Dergisi B - Teorik Bilimler Cover Eskişehir Teknik Üniversitesi Bilim ve Teknoloji Dergisi B - Teorik Bilimler
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DENSITY FUNCTIONAL THEORY INVESTIGATION OF DOUBLE SILICON DECORATED FULLERENES AND SINGLE WALLED CARBON NANOTUBES FOR THE DETECTION AND ADSORPTION OF IBUPROFEN

Abstract

A widely used and prescribed drug Ibuprofen (IBP) is known its anti-inflammatory, and antipyretic effects. Fullerenes and carbon nanotubes appeared as the novel elements of drug delivery and sensor application particularly when they doped with some impurity atoms. In this work double silicon decoration of fullerene C60 and single walled carbon nanotube (SWCNT) using with M06-2X and B3LYP functionals were examined to see the possible adsorption and sensor properties of the examined systems. HOMO─LUMO gap energies and natural bond orbital analyses (NBO) were also investigated in the scope of this work.

Keywords

Ibuprofen,Fullerene,Carbon nanotube

References

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Details

Primary Language

English

Subjects

-

Journal Section

Research Article

Authors

Publication Date

February 28, 2020

Submission Date

February 6, 2019

Acceptance Date

January 6, 2020

Published in Issue

Year 2020 Volume: 8 Number: 1

DOI

https://doi.org/10.20290/estubtdb.523338

IZ

https://izlik.org/JA74LT34BC

Cite

RIS / Bibtex
APA
Parlak, C., & Alver, Ö. (2020). DENSITY FUNCTIONAL THEORY INVESTIGATION OF DOUBLE SILICON DECORATED FULLERENES AND SINGLE WALLED CARBON NANOTUBES FOR THE DETECTION AND ADSORPTION OF IBUPROFEN. Eskişehir Teknik Üniversitesi Bilim Ve Teknoloji Dergisi B - Teorik Bilimler, 8(1), 14-18. https://doi.org/10.20290/estubtdb.523338
AMA
1.Parlak C, Alver Ö. DENSITY FUNCTIONAL THEORY INVESTIGATION OF DOUBLE SILICON DECORATED FULLERENES AND SINGLE WALLED CARBON NANOTUBES FOR THE DETECTION AND ADSORPTION OF IBUPROFEN. Eskişehir Teknik Üniversitesi Bilim ve Teknoloji Dergisi B - Teorik Bilimler. 2020;8(1):14-18. doi:10.20290/estubtdb.523338
Chicago
Parlak, Cemal, and Özgür Alver. 2020. “DENSITY FUNCTIONAL THEORY INVESTIGATION OF DOUBLE SILICON DECORATED FULLERENES AND SINGLE WALLED CARBON NANOTUBES FOR THE DETECTION AND ADSORPTION OF IBUPROFEN”. Eskişehir Teknik Üniversitesi Bilim Ve Teknoloji Dergisi B - Teorik Bilimler 8 (1): 14-18. https://doi.org/10.20290/estubtdb.523338.
EndNote
Parlak C, Alver Ö (February 1, 2020) DENSITY FUNCTIONAL THEORY INVESTIGATION OF DOUBLE SILICON DECORATED FULLERENES AND SINGLE WALLED CARBON NANOTUBES FOR THE DETECTION AND ADSORPTION OF IBUPROFEN. Eskişehir Teknik Üniversitesi Bilim ve Teknoloji Dergisi B - Teorik Bilimler 8 1 14–18.
IEEE
[1]C. Parlak and Ö. Alver, “DENSITY FUNCTIONAL THEORY INVESTIGATION OF DOUBLE SILICON DECORATED FULLERENES AND SINGLE WALLED CARBON NANOTUBES FOR THE DETECTION AND ADSORPTION OF IBUPROFEN”, Eskişehir Teknik Üniversitesi Bilim ve Teknoloji Dergisi B - Teorik Bilimler, vol. 8, no. 1, pp. 14–18, Feb. 2020, doi: 10.20290/estubtdb.523338.
ISNAD
Parlak, Cemal - Alver, Özgür. “DENSITY FUNCTIONAL THEORY INVESTIGATION OF DOUBLE SILICON DECORATED FULLERENES AND SINGLE WALLED CARBON NANOTUBES FOR THE DETECTION AND ADSORPTION OF IBUPROFEN”. Eskişehir Teknik Üniversitesi Bilim ve Teknoloji Dergisi B - Teorik Bilimler 8/1 (February 1, 2020): 14-18. https://doi.org/10.20290/estubtdb.523338.
JAMA
1.Parlak C, Alver Ö. DENSITY FUNCTIONAL THEORY INVESTIGATION OF DOUBLE SILICON DECORATED FULLERENES AND SINGLE WALLED CARBON NANOTUBES FOR THE DETECTION AND ADSORPTION OF IBUPROFEN. Eskişehir Teknik Üniversitesi Bilim ve Teknoloji Dergisi B - Teorik Bilimler. 2020;8:14–18.
MLA
Parlak, Cemal, and Özgür Alver. “DENSITY FUNCTIONAL THEORY INVESTIGATION OF DOUBLE SILICON DECORATED FULLERENES AND SINGLE WALLED CARBON NANOTUBES FOR THE DETECTION AND ADSORPTION OF IBUPROFEN”. Eskişehir Teknik Üniversitesi Bilim Ve Teknoloji Dergisi B - Teorik Bilimler, vol. 8, no. 1, Feb. 2020, pp. 14-18, doi:10.20290/estubtdb.523338.
Vancouver
1.Cemal Parlak, Özgür Alver. DENSITY FUNCTIONAL THEORY INVESTIGATION OF DOUBLE SILICON DECORATED FULLERENES AND SINGLE WALLED CARBON NANOTUBES FOR THE DETECTION AND ADSORPTION OF IBUPROFEN. Eskişehir Teknik Üniversitesi Bilim ve Teknoloji Dergisi B - Teorik Bilimler. 2020 Feb. 1;8(1):14-8. doi:10.20290/estubtdb.523338