Bio Chem Press  Internet Electronic Journal of Molecular Design is a refereed journal for scientific papers regarding all applications of molecular design
Home | News | Current Issue | Journal Index | IECMD 2004 | Preprint Index | Instructions for Authors | Send the Manuscript | Special Issue
 BioChemPress.com  To bookmark this site press Ctrl D
 
   Home
   News & Announcements
  Journal Info
   Current Issue
   Journal Index
   Preprint Index
   Editor
   Advisory Board
  Conference Info
   IECMD 2004
   Day 1
   Day 2
   Day 3
   Day 4
   Day 5
   Day 6
   Day 7
   Day 8
   Day 9
   Day 10
   IECMD 2003
  BioChem Links
   CoEPrA
   Support Vector Machines
  Author Info
   Instructions for Authors
   Send the Manuscript
   Special Issue
  Contact
   Editorial Office
   Subscription
   Advertising
   Copyright
  User Info
   Terms of Use
   License

Internet Electronic Journal of Molecular Design - IEJMD, ISSN 1538-6414, CODEN IEJMAT
ABSTRACT - Internet Electron. J. Mol. Des. September 2007, Volume 6, Number 9, 302-310

Theoretical Study of Atomic Hydrogen Diffusion on the Surface of Carbon Nanotubes of Various Diameters and Chiralities
Alexander A. Kuzubov, Roman P. Avramov, Maria A. Raimova, Tatiana A. Kozhevnikova, Julia M. Milyutina, and Pavel O. Krasnov
Internet Electron. J. Mol. Des. 2007, 6, 302-310

Free: Download the paper in PDF format Return to Table of Contents Get Acrobat Reader to view and print the paper

Abstract:
Density functional theory calculations in a basis of plane waves were preformed to determine diffusion process characteristics for atomic hydrogen chemically adsorbed on the surface of (5,5), (8,8) and (8,0) single-walled carbon nanotubes. It has been determined that carbon nanotubes can be used for the storage hydrogen in a chemically bound atomic state. The saturation process of carbon nanotubes with hydrogen should be carried out at high temperatures and in the presence of catalyst that would decompose hydrogen into atomic form. High temperatures aid the diffusion process leading to uniform distribution of hydrogen atoms on carbon nanotube surface. At standard temperatures the migration of hydrogen atom on the nanotube surface is hindered significantly.

Free: Download the paper in PDF format Return to Table of Contents Get Acrobat Reader to view and print the paper

Home | News | Current Issue | Journal Index | IECMD 2004 | Preprint Index | Instructions for Authors | Send the Manuscript | Special Issue
Last changes: January 5, 2006 Webmaster
http://www.biochempress.com/
Copyright © 2001-2006 Ovidiu Ivanciuc