石墨烯
氢气储存
重量分析
材料科学
吸附
氢
化学物理
分子
石墨烯纳米带
凝聚态物理
纳米技术
化学
复合材料
物理化学
物理
有机化学
合金
作者
Can Ataca,Ethem Aktürk,S. Çiraci,Hande Üstünel
摘要
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 12.8wt%.
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