Hallmark of perfect graphene.

نویسندگان

  • Elizabeth J Duplock
  • Matthias Scheffler
  • Philip J D Lindan
چکیده

Using first-principles calculations we show that the adsorption of atomic hydrogen on graphene opens a substantial gap in the electronic density of states in which lies a spin-polarized gap state. This spin is quenched by the presence of a rotated C-C bond (a Stone-Wales defect) adjacent to or distant from the H atom. We explain these findings and discuss the implications for nanotubes and magnetic nanographene. Furthermore, we demonstrate that the combined effect of high curvature and a Stone-Wales defect makes H2 chemisorption close to being thermodynamically favorable.

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عنوان ژورنال:
  • Physical review letters

دوره 92 22  شماره 

صفحات  -

تاریخ انتشار 2004