High-capacity hydrogen storage by metallized graphene
Applied Physics Letters
American Institute of Physics
Ataca, C., Aktürk, E., Ciraci, S., & Ustunel, H. (2008). High-capacity hydrogen storage by metallized graphene. Applied Physics Letters, 93(4), 043123.
Please cite this item using this persistent URLhttp://hdl.handle.net/11693/11618
First-principles plane wave calculations predict that Li can be adsorbed on graphene forming a uniform and stable coverage on both sides. A significant part of the electronic charge of the Li 2s orbital is donated to graphene and is accommodated by its distorted π* -bands. As a result, semimetallic graphene and semiconducting graphene ribbons change into good metals. It is even more remarkable that Li covered graphene can serve as a high-capacity hydrogen storage medium with each adsorbed Li absorbing up to four H2 molecules amounting to a gravimetric density of 12.8 wt %. © 2008 American Institute of Physics.
- Department of Physics