High-capacity hydrogen storage by metallized graphene

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Ataca C., Akturk E., ÇIRACI S., Ustunel H.

APPLIED PHYSICS LETTERS, cilt.93, sa.4, 2008 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 93 Sayı: 4
  • Basım Tarihi: 2008
  • Doi Numarası: 10.1063/1.2963976
  • Dergi Adı: APPLIED PHYSICS LETTERS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Orta Doğu Teknik Üniversitesi Adresli: Evet

Özet

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 pi*- 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 %. (c) 2008 American Institute of Physics.