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The effect of oxygen molecule on the hydrogen storage process of Li-doped graphene

✍ Scribed by Zhang, Teng; Ling, Cuicui; Xue, Qingzhong; Wu, Tiantian

Book ID
124091099
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
998 KB
Volume
599
Category
Article
ISSN
0009-2614

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The electronic structures of a lithium ion (Li + ) doped-graphene at the ground and low-lying excited states have been investigated by means of density functional theory (DFT) method. A graphene composed of 19 benzene rings was used as a model of graphene, while the edge carbon atom was terminated b