期刊
ACS OMEGA
卷 4, 期 8, 页码 13209-13217出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsomega.9b01359
关键词
-
资金
- National Key R&D Development Program of China [2016YFA0200400]
- thirteenth Five-year Planning Project of Jilin Provincial Education Department Foundation [JJKH20170651KJ]
- Natural Science Foundation of Jilin Province [20170101099JC]
- Natural Science Foundation of Changchun Normal University [001010]
- Natural Science Foundation of Changchun Institute of Technology
We explore the stability, electronic properties, and quantum capacitance of doped/co-doped graphene with B, N, P, and S atoms based on first-principles methods. B, N, P, and S atoms are strongly bonded with graphene, and all of the relaxed systems exhibit metallic behavior. While graphene with high surface area can enhance the double-layer capacitance, its low quantum capacitance limits its application in supercapacitors. This is a direct result of the limited density of states near the Dirac point in pristine graphene. We find that the triple N and S doping with single vacancy exhibits a relatively stable structure and high quantum capacitance. It is proposed that they could be used as ideal electrode materials for symmetry supercapacitors. The advantages of some co-doped graphene systems have been demonstrated by calculating quantum capacitance. We find that the N/S and N/P co-doped graphene with single vacancy is suitable for asymmetric supercapacitors. The enhanced quantum capacitance contributes to the formation of localized states near the Dirac point and/or Fermi-level shifts by introducing the dopant and vacancy complex.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据