Modeling of single-walled carbon nanotubes functionalized with carboxylic and amide groups towards its solubilization in water
The paper discusses the impact of functionalization on understanding the solubility of a single-walled carbon nanotube (SWCNT) to increase its dispersion in water, with the aide of spin-unrestricted density functional theory (DFT). A finite (10, 0) zigzag nanotube model containing 80 C atoms saturat...
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| 格式: | text |
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Animo Repository
2015
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| 在線閱讀: | https://animorepository.dlsu.edu.ph/faculty_research/2207 |
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| 機構: | De La Salle University |