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

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

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...

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Bibliographic Details
Main Authors: Mananghaya, Michael Rivera, Santos, Gil N, Yu, Dennis
Format: text
Published: Archīum Ateneo 2019
Subjects:
adsorption
nanostructures
computer modeling and simulation
Physics
Online Access:https://archium.ateneo.edu/physics-faculty-pubs/112
https://onlinelibrary.wiley.com/doi/10.1002/jcc.25776
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Institution: Ateneo De Manila University

Internet

https://archium.ateneo.edu/physics-faculty-pubs/112
https://onlinelibrary.wiley.com/doi/10.1002/jcc.25776

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