Theoretical investigation on the solubilization in water of functionalized single-wall carbon nanotubes

• Main Authors: Mananghaya, Michael, Rodulfo, Emmanuel, Santos, Gil Nonato C., Villagracia, Al Rey
• Format: text
• Published: Animo Repository 2012
• Subjects: Carbon nanotubes—Solubility; Carbon nanotubes—Reactivity; Binding energy; Biocompatibility; Formic acid; Aromatic compounds; Density functionals; Physics
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/3787; https://animorepository.dlsu.edu.ph/context/faculty_research/article/4789/type/native/viewcontent/780815.html
• Institution: De La Salle University

An important technique to increase the solubility and reactivity of carbon nanotube is through functionalization. In this study, the effects of functionalization of some single-walled carbon nanotubes (SWCNTs) were investigated with the aid of density functional theory. The SWCNT model used in the s...