Header menu link for other important links
X
The role of heteroatoms in carbon nanotubes for hydrogen storage
M. Sankaran, Balasubramanian Viswanathan
Published in
2006
Volume: 44
   
Issue: 13
Pages: 2816 - 2821
Abstract
Carbon materials should have specific centers for hydrogen adsorption/absorption. The Universal Force Field and Density Functional Theory have been used to find the role of heteroatom substitution in carbon nanotubes as an activator. The effect of various heteroatoms like nitrogen, phosphorus, sulphur and boron for hydrogen activation and their geometrical positions has been identified for easy hydrogenation. This will be one of the possible centers where hydrogen adsorption/absorption is initiated. © 2006 Elsevier Ltd. All rights reserved.
About the journal
JournalCarbon
ISSN00086223
Open AccessNo
Concepts (11)
  •  related image
    Absorption
  •  related image
    Adsorption
  •  related image
    Hydrogenation
  •  related image
    Nitrogen
  •  related image
    Probability density function
  •  related image
    Storage (materials)
  •  related image
    Surface properties
  •  related image
    Carbon materials
  •  related image
    HYDROGEN ACTIVATION
  •  related image
    Hydrogen adsorption
  •  related image
    Carbon nanotubes