Solubility of Amide Functionalized Single Wall Carbon Nanotubes: A Quantum Mechanical Study

• Main Authors: Mananghaya, Michael Rivera, Santos, Gil Nonato, Yu, Dennis Ng
• Format: text
• Published: Archīum Ateneo 2017
• Subjects: Adsorption; Nanostructures; Computer modeling and simulation; Physics
• Online Access: https://archium.ateneo.edu/physics-faculty-pubs/106; https://www.sciencedirect.com/science/article/abs/pii/S0167732217310930?via%3Dihub
• Institution: Ateneo De Manila 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...