石墨烯边缘的势垒
材料科学
2012-09-05 v3 介观与纳米尺度物理
摘要
我们计算了石墨烯锯齿形和扶手椅形边缘（清洁或分别由H、O或OH基团封端）的逐行态密度、电荷分布和功函数。通过OH基团饱和的锯齿形边缘具有最低的功函数3.76 eV，而通过O封端的锯齿形边缘具有最高的功函数7.74 eV。边缘上依赖角度的势垒被拟合为多极模型，并由电荷分布加以解释。
引用
@article{arxiv.1104.1746,
title = {Potential barrier of Graphene edges},
author = {Weiliang Wang and Zhibing Li},
journal= {arXiv preprint arXiv:1104.1746},
year = {2012}
}
备注
16 pages, 8 figures. Copyright (2011) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. This article appeared in (J. Appl. Phys. 109 (2011) 114308) and may be found at (http://link.aip.org/link/?JAP/109/114308)