Solubility of Aminotriethylene Glycol Functionalized Single Wall Carbon Nanotubes: A Density Functional Based Tight Binding Molecular Dynamics Study

• Main Authors: Mananghaya, Michael Rivera, Santos, Gil N, Yu, Dennis
• 格式: text
• 出版: Archīum Ateneo 2019
• 主題: adsorption; nanostructures; computer modeling and simulation; Physics
• 在線閱讀: https://archium.ateneo.edu/physics-faculty-pubs/112; https://onlinelibrary.wiley.com/doi/10.1002/jcc.25776

Pristine CNTs are exemplary hydrophobic solutes; properly functionalized CNTs can be seen as hydrophilic ones. The solubility of aminotriethylene glycol (ATG) functionalized single walled carbon nanotubes (fSWCNTs) were examined using density functional based tight binding method. According to the d...