School of Electrical & Computer Engineering, Purdue University, West Lafayette, Indiana 47906, United States.
Nano Lett. 2011 Nov 9;11(11):4574-8. doi: 10.1021/nl2017338. Epub 2011 Oct 24.
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.
最近的实验表明，在铱衬底上通过图案化氢化可以在石墨烯中诱导出相当大的能隙。在这里，我们表明，当考虑到无序时，能隙大致与 N(H)(1/2)/N(C)成正比，其中 N(H) 和 N(C) 分别表示氢原子和碳原子的浓度。通过计算动量-能量分辨态密度得到的色散关系与以前的角分辨光电子能谱结果一致。在有限大小的样品中模拟电子输运也揭示了类似的输运间隙，在实验可实现的 N(H)(1/2)/N(C) 值范围内高达 1 eV。
