High hydrogen sorption in covalently linked carbon nanotube scaffold -a theoretical investigation Conference Paper uri icon

abstract

  • Hydrogen has the potential to replace petroleum fuel. However efficient hydrogen storage is challenging. Carbon nanotubes are promising hydrogen storage material. In addition to the porosity and large surface area, curved surface and capillary effect give additional impetus to hydrogen storage capacity. In this study, we investigate the adsorption capacity of carbon nanotube scaffolds made up of single-wall carbon nanotubes connected by methylenedianiline crosslinkers, where tube diameter and crosslinking density varies. We prepared tubes with chirality (6, 6), (9, 9), (12, 12), (15, 15) and (18, 18) with crosslinking agent placed after 4, 7, 9 and 12 layers of benzene rings. Using molecular simulations we show that the scaffold prepared by (18, 18) tube having linkers connected after 12 layers adsorb 11.4 wt % hydrogen at 77K, 20 bar and 2.75 wt% at 298 K, 100 bar. Any additional functionalization of the tubes did not improve the sorption capacity.

published proceedings

  • ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

author list (cited authors)

  • Biswas, M. M., & Cagin, T.

complete list of authors

  • Biswas, Mousumi Mani||Cagin, Tahir

publication date

  • December 2010