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Uptake of H2 and CO2 by Graphene
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 H 2 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 CO 2, 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. CO 2 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 H 2 uptake.
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Metadata
- Authors
- Ghosh, A., Subrahmanyam, K. S., Krishna, K. S., Datta, S., Govindaraj, A., Pati, S. K., & Rao, C. N. R.
- Venue
- The Journal of Physical Chemistry C
- Publisher
- American Chemical Society (ACS)
- Published
- 2008-09-11
- Volume
- 112
- Issue
- 40
- Pages
- 15704-15707
- ISSN
- 1932-7447 (ISSN-L)
- 1932-7455
- OpenAlex
- W113299661
- Cited by
- 314
- References
- 0
- FWCI
- 8.42
- Type
- journal article
- Language
- en
- Open access
- closed
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