Novel Structural Motifs in Oxidized Graphene

Details Novel Structural Motifs in Oxidized Graphene Novel Structural Motifs in Oxidized Graphene

2009-12-31

arxiv.org/abs/1001.0171v1

Physics

Condensed Matter

Materials Science

Scientific paper

The structural and electronic properties of oxidized graphene are investigated on the basis of the genetic algorithm and density functional theory calculations. We find two new low energy semiconducting phases of the fully oxidized graphene (C1O). In one phase, there is parallel epoxy pair chains running along the zigzag direction. In contrast, the ground state phase with a slightly lower energy and a much larger band gap contains epoxy groups in three different ways: normal epoxy, unzipped epoxy, and epoxy pair. For partially oxidized graphene, a phase separation between bare graphene and fully oxidized graphene is predicted.

Affiliated with

Also associated with

No associations

Rating

Novel Structural Motifs in Oxidized Graphene 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 Novel Structural Motifs in Oxidized Graphene, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Novel Structural Motifs in Oxidized Graphene will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-104847