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

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

The paper discusses the impact of functionalization in understanding the solubility of (n, 0) single walled carbon nanotube (SWCNT) with varying diameters (n = 8-16) to increase its dispersion in water with the aide of spin-unrestricted density functional theory (DFT). A finite nanotube model satura...

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Bibliographic Details
Main Authors: Mananghaya, Michael, Promentilla, Michael Angelo, Aviso, Kathleen B., Tan, Raymond Girard R.
Format: text
Published: Animo Repository 2016
Subjects:
Binding energy
Nanotubes—Solubility
Gibbs' free energy
Solvation
Density functionals
Chemical Engineering
Online Access:https://animorepository.dlsu.edu.ph/faculty_research/2206
https://animorepository.dlsu.edu.ph/context/faculty_research/article/3205/type/native/viewcontent
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Institution: De La Salle University

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https://animorepository.dlsu.edu.ph/faculty_research/2206
https://animorepository.dlsu.edu.ph/context/faculty_research/article/3205/type/native/viewcontent

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