# HYDROGEN ADSORPTION ON CA-DECORATED EPOXY-COATING GRAPHENE

> Title: HYDROGEN ADSORPTION ON CA-DECORATED EPOXY-COATING GRAPHENE Page Range: p.141-146 Author(s): Wenbo Liu; Yang Liu; Lifeng Hao; Zhonghai Xu; Fan Yang; Zhenqiang Zhu; Rongguo Wang File size: Download the pdf (subscribers only) Buy the pdf (non-subscribers) Journal: Polymers and Polymer Composites Issue...

Canonical URL: https://polymerjournals.com/hydrogen-adsorption-on-ca-decorated-epoxy-coating-graphene/
Published: 2014-02-01T00:00:00+00:00
Categories: Polymers and Polymer Composites

**Title: HYDROGEN ADSORPTION ON CA-DECORATED EPOXY-COATING GRAPHENE**
 Page Range: p.141-146
 Author(s): Wenbo Liu; Yang Liu; Lifeng Hao; Zhonghai Xu; Fan Yang; Zhenqiang Zhu; Rongguo Wang
 File size:
 ![](http://dload.gif) [Download the pdf](http://journals.asp?Page=111&JournalDownload=ON&JournalType=ppc&JournalIssue=ppc22-2&JournalID=102095&JIP=) (subscribers only)
 ![](http://handbuy.gif) Buy the pdf (non-subscribers)
 Journal: Polymers and Polymer Composites
 Issue Year: ppc
 Volume: 22
 Issue No: No. 2

**Abstract**
 The hydrogen adsorption of calcium-decorated epoxy-doped graphene has been studied by density functional theory calculations. Several models are set up and the optimized geometries are obtained. The interaction among epoxy functional groups, graphene and metal atoms is studied by analysing the electronic and band structures of the relaxed models. Mulliken population and the partial density of states are calculated to probe the nature of hydrogen molecules adsorption on this system. Our results demonstrate that this kind of stable material can be used as a promising hydrogen storage material. 36 Refs.

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