Oxygen reduction reactions on pure and nitrogen-doped graphene: a first-principles modeling

Details Oxygen reduction reactions on pure and nitrogen-doped graphene: a first-principles modeling Oxygen reduction reactions on pure and nitrogen-doped graphene: a first-principles modeling

2011-10-27

arxiv.org/abs/1110.6218v1

Physics

Condensed Matter

Materials Science

11 pages, 2 figures, accepted in Nanoscale as communication

Scientific paper

Based on first principles density functional theory calculations we explored energetics of oxygen reduction reaction over pristine and nitrogen-doped graphene with different amounts of nitrogen doping. The process of oxygen reduction requires one more step then same reaction catalyzed by metals. Results of calculations evidence that for the case of light doped graphene (about 4% of nitrogen) energy barrier for each step is lower than for the same process on Pt surface. In contrast to the catalysis on metal surface the maximal coverage of doped graphene is lower and depends on the corrugation of graphene. Changes of the energy barriers caused by oxygen load and corrugation are also discussed.

Affiliated with

Also associated with

No associations

Rating

Oxygen reduction reactions on pure and nitrogen-doped graphene: a first-principles modeling does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Oxygen reduction reactions on pure and nitrogen-doped graphene: a first-principles modeling, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Oxygen reduction reactions on pure and nitrogen-doped graphene: a first-principles modeling will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-685208