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

• المؤلفون الرئيسيون: Mananghaya, Michael Rivera, Santos, Gil Nonato, Yu, Dennis Ng
• التنسيق: text
• منشور في: Archīum Ateneo 2017
• الموضوعات: Adsorption; Nanostructures; Computer modeling and simulation; Physics
• الوصول للمادة أونلاين: https://archium.ateneo.edu/physics-faculty-pubs/106; https://www.sciencedirect.com/science/article/abs/pii/S0167732217310930?via%3Dihub

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...