Journal
JOURNAL OF PHYSICAL CHEMISTRY C
Volume 121, Issue 34, Pages 18344-18350Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.7b04551
Keywords
-
Funding
- Beijing Institute of Technology scientific cooperation project [3190012351701]
- National Nature Science Foundation of China [21111120074]
Ask authors/readers for more resources
The interaction between different configurations of nitrogen and sulfur, as well as the influence on the quantum capacitance of N/S co-doped graphene. was investigated by applying density functional theory calculations. It was found that the sulfur atom tends to dislocate from the graphene plane in the presence of a pyrrolic-N atom. However, in the presence of pyridinic-N, the sulfur atom maintains its sp2 hybridization in both 6- and 5-membered rings. Moreover, at low concentration, sulfur doping produces a new state close to the Fermi level, which enhances the maximum quantum capacitance of the co-doped graphene up to 50%. Nevertheless, there is no further improvement when another nitrogen or sulfur atom was embedded into the co-doped graphene.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available