Calcium-decorated graphene-based nanostructures for hydrogen storage.
basic_science · Level V
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- Record sourced from PubMed, PMID 20104855.
- Also identified by DOI 10.1021/nl902822s.
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Abstract
We report a first-principles study of hydrogen storage media consisting of calcium atoms and graphene-based nanostructures. We find that Ca atoms prefer to be individually adsorbed on the zigzag edge of graphene with a Ca-Ca distance of 10 A without clustering of the Ca atoms, and up to six H(2) molecules can bind to a Ca atom with a binding energy of approximately 0.2 eV/H(2). A Ca-decorated zigzag graphene nanoribbon (ZGNR) can reach the gravimetric capacity of approximately 5 wt % hydrogen. We also consider various edge geometries of the graphene for Ca dispersion.
Medical subject headings
- Calcium
- Graphite
- Hydrogen
- Nanostructures
- Nanotechnology