What is it about?

Hydrogen storage capacity of different scandium (Sc)-decorated topological porous graphene (PG) was examined through density functional theory calculations. PGs were selected considering odd and even topological symmetries.

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Why is it important?

Compared with H2 adsorption on pure graphene, injecting topological defect such as hexagon porous and decoration with a transition metal atom such as Sc can effectively create much more conductive states at Fermi energy. Eventually, Sc decoration leads to n-type doping of PGs that help in much easier transportation of charge carriers and desirable storage of H2 molecules.

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This page is a summary of: The topology impact on hydrogen storage capacity of Sc-decorated ever-increasing porous graphene, Journal of Molecular Modeling, April 2020, Springer Science + Business Media,
DOI: 10.1007/s00894-020-04367-8.
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