1 research outputs found
A Nonzero Gap Two-Dimensional Carbon Allotrope from Porous Graphene
Graphene is considered one of the most promising materials for future
electronic. However, in its pristine form graphene is a gapless material, which
imposes limitations to its use in some electronic applications. In order to
solve this problem many approaches have been tried, such as, physical and
chemical functionalizations. These processes compromise some of the desirable
graphene properties. In this work, based on ab initio quantum molecular
dynamics, we showed that a two-dimensional carbon allotrope, named biphenylene
carbon (BPC) can be obtained from selective dehydrogenation of porous graphene.
BPC presents a nonzero bandgap and well-delocalized frontier orbitals.
Synthetic routes to BPC are also addressed.Comment: Published on J. Phys. Chem. C, 2012, 116 (23), pp 12810-1281