Hydrogen adsorption on boron doped graphene: an {\it ab initio} study

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Miwa, R. H. ; Martins, T. B. ; Fazzio, A. (2007)
  • Related identifiers: doi: 10.1088/0957-4484/19/15/155708
  • Subject: Condensed Matter - Materials Science
    arxiv: Condensed Matter::Strongly Correlated Electrons | Condensed Matter::Materials Science | Physics::Atomic and Molecular Clusters | Physics::Chemical Physics | Condensed Matter::Superconductivity

The electronic and structural properties of (i) boron doped graphene sheets, and (ii) the chemisorption processes of hydrogen adatoms on the boron doped graphene sheets have been examined by {\it ab initio} total energy calculations.
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