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A First Principles study on Boron-doped Graphene decorated by Ni-Ti-Mg atoms for Enhanced Hydrogen Storage Performance

We proposed a new solid state material for hydrogen storage, which consists of a combination of both transition and alkaline earth metal atoms decorating a boron-doped graphene surface. Hydrogen adsorption and desorption on this material was investigated using density functional theory calculations....

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Bibliographic Details
Published in:Sci Rep
Main Authors: Nachimuthu, Santhanamoorthi, Lai, Po-Jung, Leggesse, Ermias Girma, Jiang, Jyh-Chiang
Format: Artigo
Language:Inglês
Published: Nature Publishing Group 2015
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Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC4649468/
https://ncbi.nlm.nih.gov/pubmed/26577659
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep16797
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