Role of chemical termination in edge contact to graphene
Role of chemical termination in edge contact to graphene
复制标题
DOI：
10.1063/1.4876635
复制
发表时间：
2014-05-01
期刊：
影响因子：
6.1
通讯作者：
Guo, Jing
中科院分区：
文献类型：
--
作者：
Gao, Qun;Guo, Jing
与石墨烯的边缘接触可以提供优异的接触特性。不同的化学终端的作用是通过使用从头算密度泛函理论和量子输运模拟研究。发现与H和VII族元素F相比，通过VI族元素O和S的边缘端接提供了相当低的接触电阻。该结果可以通过金属接触和这些VI族元素之间的显著更大的结合能和更短的结合距离来理解，这导致显著更低的界面势垒和更大的透射。该定性结论适用于多种触头金属材料。(C)2014年作者。除非另有说明，否则所有文章内容均根据Creative Commons Attribution 3.0 Unported License许可。
Edge contacts to graphene can offer excellent contact properties. Role of different chemical terminations is examined by using ab initio density functional theory and quantum transport simulations. It is found that edge termination by group VI elements O and S offers considerably lower contact resistance compared to H and group VII element F. The results can be understood by significantly larger binding energy and shorter binding distance between the metal contact and these group VI elements, which results in considerably lower interface potential barrier and larger transmission. The qualitative conclusion applies to a variety of contact metal materials. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.