期刊
NANO LETTERS
卷 11, 期 11, 页码 4574-4578出版社
AMER CHEMICAL SOC
DOI: 10.1021/nl2017338
关键词
Graphene; hydrogenation; superlattice; disorder; energy gap; scaling
类别
资金
- Network for Computational Nanotechnology for computational services
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.
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