Solubility of amide functionalized single wall carbon nanotubes: A quantum mechanical study

• Main Authors: Mananghaya, Michael Rivera, Santos, Gil Nonato C., Yu, Dennis Ng
• Format: text
• Published: Animo Repository 2017
• Subjects: Amides—Solubility; Carbon nanotubes; Quantum theory; Chemical Engineering
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/1421; https://animorepository.dlsu.edu.ph/context/faculty_research/article/2420/type/native/viewcontent
• Institution: De La Salle University

The electronic structure and solubility of aminotriethylene glycol (ATG) functionalized single walled carbon nanotubes (fSWCNTs) were examined using density functional theory (DFT). According to DFT formalisms, the ATG-fSWCNTs increases its structural distortion and solubility both for the zigzag an...