T-Carbon: A Novel Carbon Allotrope

Details T-Carbon: A Novel Carbon Allotrope T-Carbon: A Novel Carbon Allotrope

2011-05-05

arxiv.org/abs/1105.0977v1

Phys. Rev. Lett. 106, 155703 (2011)

Physics

Condensed Matter

Materials Science

Scientific paper

A structurally stable crystalline carbon allotrope is predicted by means of the first-principles calculations. This allotrope can be derived by substituting each atom in diamond with a carbon tetrahedron, and possesses the same space group Fd^1 3m as diamond, which is thus coined as T- carbon. The calculations on geometrical, vibrational and electronic properties reveal that T-carbon, with a considerable structural stability and a much lower density 1.50 g/cm3, is a semiconductor with a direct band gap about 3.0 eV, and has a Vickers hardness 61.1 GPa lower than diamond but comparable with cubic boron nitride. Such a form of carbon, once obtained, would have wide applications in photocatalysis, adsoption, hydrogen storage and aerospace materials.

Affiliated with

Also associated with

No associations

Rating

T-Carbon: A Novel Carbon Allotrope 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 T-Carbon: A Novel Carbon Allotrope, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and T-Carbon: A Novel Carbon Allotrope will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-689147