ArticleNanomaterials (Basel, Switzerland)2025
Molecular Design of H
Article in Nanomaterials (Basel, Switzerland), 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
To advance a hydrogen-based energy society, the development of efficient hydrogen storage materials is essential. In particular, such materials are expected to be lightweight and chemically stable. Moreover, they must allow for easy storage and release of hydrogen. In this study, we theoretically designed hydrogen storage and release devices based on graphene (GR)-a lightweight and chemically stable material-using a direct ab initio molecular dynamics (AIMD) approach. The target reaction in this study is the hydrogen abstraction from hydrogenated graphene, H-(GR)-H, by hydrogen atom, resulting in molecular hydrogen formation: H-(GR)-H + H → GR-H + H
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