First-principles study of Li decorated coronene graphene

Zhang, YF; Cheng, XL

Cheng, XL (reprint author), Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Sichuan, Peoples R China.

INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2017; 31 (29):

Abstract

We use the first-principles calculation based on density functional theory (DFT) to investigate the hydrogen storage of Li decorated coronene graphene......

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