2014/11/06 by Hongyu Ge, Guo Wang, Ge, Hongyu +3
Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.1411.1526
arxiv created 2014/11/06 · arxiv updated 2014/11/07
Armchair graphene nanoribbons with different proportions of edge oxygen atoms are investigated by using crystal orbital method based on density functional theory. All the nanoribbons are energetically favorable, although buckled edges are present. Isolated edge oxygen atoms cause semiconductor-metal transition via introducing edge states, while adjacent edge oxygen atoms not. For the graphene nanoribbons with all oxygen atoms on the edges, both band gap and carrier mobility alternate with respect to the ribbon width. The carrier mobilities are as 18%-65% large as those of the graphene nanoribbons with hydrogen-terminated edges. These values are as large as 103 cm2V-1s-1, which are still quite high for electronic devices. Crystal orbital analysis gives pictorial explanations to the phenomenon.