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AI Summary & Key Takeaways
AI Insight⚡ TL;DR(Too Long; Didn't Read)
HOMO─LUMO gap energies and natural bond orbital analyses (NBO) were also investigated in the scope of this work.
📌 3 Key Takeaways
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Objective & Hypothesis:A widely used and prescribed drug Ibuprofen (IBP) is known its anti-inflammatory, and antipyretic effects.
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Key Findings & Data: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.
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Conclusion & Impact:HOMO─LUMO gap energies and natural bond orbital analyses (NBO) were also investigated in the scope of this work.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:Ibuprofen · Fullerene · Carbon nanotube
Özet
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.
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Cite This Article
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, Cilt: 8 - Sayı: 1, 14–18. https://ajindex.com/articles/253879