Uptake of H2 and CO2 by graphene

Ghosh, Anupama ; Subrahmanyam, K. S. ; Krishna, Katla Sai ; Datta, Sudipta ; Govindaraj, A. ; Pati, Swapan K. ; Rao, C. N. R. (2008) Uptake of H2 and CO2 by graphene Journal of Physical Chemistry C, 112 (40). pp. 15704-15707. ISSN 1932-7447

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Official URL: http://pubs.acs.org/doi/abs/10.1021/jp805802w

Related URL: http://dx.doi.org/10.1021/jp805802w

Abstract

Graphene samples prepared by the exfoliation of graphitic oxide and conversion of nanodiamond exhibit good hydrogen uptake at 1 atm, 77 K, the uptake going up to 1.7 wt %. The hydrogen uptake varies linearly with the surface area, and the extrapolated value of hydrogen uptake by single-layer graphene works out to be just above 3 wt %. The H2 uptake at 100 atm and 298 K is found to be 3 wt % or more, suggesting thereby the single-layer graphene would exhibit much higher uptakes. Equally interestingly, the graphene samples prepared by us show high uptake of CO2, the value reaching up to 35 wt % at 1 atm and 195 K. The first-principles calculations show that hydrogen molecules sit alternately in parallel and perpendicular orientation on the six-membered rings of the graphene. Up to 7.7 wt % of hydrogen can be accommodated on single-layered graphene. CO2 molecules sit alternatively in a parallel fashion on the rings, giving use to a maximum uptake of 37.93 wt % in single-layer graphene. The presence of more than one layer of graphene in our samples causes a decrease in the H2 uptake.

Item Type:Article
Source:Copyright of this article belongs to American Chemical Society.
ID Code:40032
Deposited On:21 May 2011 06:56
Last Modified:21 May 2011 06:56

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