Table of Contents Author Guidelines Submit a Manuscript
Journal of Nanotechnology
Volume 2012 (2012), Article ID 780815, 6 pages
http://dx.doi.org/10.1155/2012/780815
Research Article

Theoretical Investigation on the Solubilization in Water of Functionalized Single-Wall Carbon Nanotubes

1Physics Department, De La Salle University-Manila, Taft Avenue, Manila 1004, Philippines
2Physics Department, Mapúa Institute of Technology, Muralla Street, Intramuros, Manila 1002, Philippines

Received 14 July 2011; Revised 28 August 2011; Accepted 5 September 2011

Academic Editor: Lifeng Dong

Copyright © 2012 Michael Mananghaya et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Citations to this Article [19 citations]

The following is the list of published articles that have cited the current article.

  • Agnieszka Gajewicz, Bakhtiyor Rasulev, Tandabany C. Dinadayalane, Piotr Urbaszek, Tomasz Puzyn, Danuta Leszczynska, and Jerzy Leszczynski, “Advancing risk assessment of engineered nanomaterials: Application of computational approaches,” Advanced Drug Delivery Reviews, vol. 64, no. 15, pp. 1663–1693, 2012. View at Publisher · View at Google Scholar
  • Leena Sinha, Mehmet Karabacak, V. Narayan, Mehmet Cinar, and Onkar Prasad, “Molecular structure, electronic properties, NLO, NBO analysis and spectroscopic characterization of Gabapentin with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations,” Spectrochimica Acta Part A-Molecular And Biomolecular Spectroscopy, vol. 109, pp. 298–307, 2013. View at Publisher · View at Google Scholar
  • Sepideh Ketabi, Seyed Majid Hashemianzadeh, and Morteza MoghimiWaskasi, “Study of DNA base-Li doped SiC nanotubes in aqueous solutions: a computer simulation study,” Journal Of Molecular Modeling, vol. 19, no. 4, pp. 1605–1615, 2013. View at Publisher · View at Google Scholar
  • Sepideh Ketabi, and Masoumeh Aarabmaghsoudi, “Effect of metal doping on the solvation of carbon nanotubes: a Monte Carlo simulation study,” Physics and Chemistry of Liquids, pp. 1–14, 2014. View at Publisher · View at Google Scholar
  • Haleh Nampak, Biswajeet Pradhan, and Mohammad Abd Manap, “Application of GIS based data driven evidential belief function model to predict groundwater potential zonation,” Journal of Hydrology, vol. 513, pp. 283–300, 2014. View at Publisher · View at Google Scholar
  • Kevin N. Wood, Ryan O'Hayre, and Svitlana Pylypenko, “Recent progress on nitrogen/carbon structures designed for use in energy and sustainability applications,” Energy & Environmental Science, vol. 7, no. 4, pp. 1212, 2014. View at Publisher · View at Google Scholar
  • Michael Mananghaya, “Hydrogen adsorption of novel N-doped carbon nanotubes functionalized with Scandium,” International Journal of Hydrogen Energy, 2015. View at Publisher · View at Google Scholar
  • Michael R Mananghaya, “Hydrogen adsorption of nitrogen-doped carbon nanotubes functionalized with 3d-block transition metals,” Journal of Chemical Sciences, 2015. View at Publisher · View at Google Scholar
  • Michael Mananghaya, “Modeling of single-walled carbon nanotubes functionalized with carboxylic and amide groups towards its solubilization in water,” Journal of Molecular Liquids, vol. 212, pp. 592–596, 2015. View at Publisher · View at Google Scholar
  • Michael Mananghaya, “Understanding the structure and electronic properties of N-doped graphene nanoribbons upon hydrogen saturation,” Journal of Chemical Sciences, 2015. View at Publisher · View at Google Scholar
  • Michael Mananghaya, Dennis Yu, and Gil Nonato Santos, “Hydrogen adsorption on boron nitride nanotubes functionalized with transition metals,” International Journal of Hydrogen Energy, 2016. View at Publisher · View at Google Scholar
  • Michael Mananghaya, Lawrence Phoa Belo, and Arnel Beltran, “Adsorption of hydrogen in Scandium/Titanium decorated nitrogen doped carbon nanotube,” Materials Chemistry and Physics, 2016. View at Publisher · View at Google Scholar
  • Michael Mananghaya, Dennis Yu, Gil Nonato Santos, and Emmanuel Rodulfo, “Scandium and Titanium Containing Single-Walled Carbon Nanotubes for Hydrogen Storage: a Thermodynamic and First Principle Calculation,” Scientific Reports, vol. 6, pp. 27370, 2016. View at Publisher · View at Google Scholar
  • Michael Mananghaya, Michael Angelo Promentilla, Kathleen Aviso, and Raymond Tan, “Theoretical investigation of the solubilization of COOH-functionalized single wall carbon nanotubes in water,” Journal of Molecular Liquids, vol. 215, pp. 780–786, 2016. View at Publisher · View at Google Scholar
  • Gil Nonato Santos, Michael Mananghaya, Dennis Yu, and Emmanuel Rodulfo, “Adsorption of mercury(II) chloride and carbon dioxide on graphene/calcium oxide (0 0 1),” Korean Journal of Materials Research, vol. 26, no. 6, pp. 298–305, 2016. View at Publisher · View at Google Scholar
  • Michael Rivera Mananghaya, Gil Nonato Santos, and Dennis Yu, “Nitrogen substitution and vacancy mediated scandium metal adsorption on carbon nanotubes,” Adsorption, 2017. View at Publisher · View at Google Scholar
  • Michael Rivera Mananghaya, Gil Nonato Santos, and Dennis Yu, “Solubility of amide functionalized single wall carbon nanotubes: A quantum mechanical study,” Journal of Molecular Liquids, 2017. View at Publisher · View at Google Scholar
  • Michael Rivera Mananghaya, Gil Nonato Santos, Dennis Yu, and Catherine Stampfl, “Hydrogen Adsorption on Nearly Zigzag-Edged Nanoribbons: A Density Functional Theory Study,” Scientific Reports, vol. 7, no. 1, 2017. View at Publisher · View at Google Scholar
  • Kevin R. Hinkle, and Frederick R. Phelan, “Solvation of Carbon Nanoparticles in Water/Alcohol Mixtures: Using Molecular Simulation To Probe Energetics, Structure, and Dynamics,” The Journal of Physical Chemistry C, 2017. View at Publisher · View at Google Scholar