Scaling of the energy gap in pattern-hydrogenated graphene

Nano Lett. 2011 Nov 9;11(11):4574-8. doi: 10.1021/nl2017338. Epub 2011 Oct 24.

Abstract

Recent experiments show that a substantial energy gap in graphene can be induced via patterned hydrogenation on an iridium substrate. Here, we show that the energy gap is roughly proportional to N(H)(1/2)/N(C) when disorder is accounted for, where N(H) and N(C) denote concentrations of hydrogen and carbon atoms, respectively. The dispersion relation, obtained through calculation of the momentum-energy resolved density of states, is shown to agree with previous angle-resolved photoemission spectroscopy results. Simulations of electronic transport in finite size samples also reveal a similar transport gap, up to 1 eV within experimentally achievable N(H)(1/2)/N(C) values.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Computer Simulation
  • Energy Transfer*
  • Graphite / chemistry*
  • Hydrogen / chemistry*
  • Models, Chemical*

Substances

  • Graphite
  • Hydrogen