Nonzero Gap Two-Dimensional Carbon Allotrope from Porous Graphene
G. BrunettoInstituto de Física “Gleb
Wataghin”, Universidade Estadual de Campinas, 13083-970 Campinas SP, BrazilP. A. S. AutretoInstituto de Física “Gleb
Wataghin”, Universidade Estadual de Campinas, 13083-970 Campinas SP, BrazilL. D. MachadoInstituto de Física “Gleb
Wataghin”, Universidade Estadual de Campinas, 13083-970 Campinas SP, BrazilB. I. SantosInstituto de Física “Gleb
Wataghin”, Universidade Estadual de Campinas, 13083-970 Campinas SP, BrazilR. P. B. dos SantosDepartamento de Física, IGCE, Universidade Estadual Paulista,
13506-900 Rio Claro SP, BrazilD. S. GalvãoInstituto de Física “Gleb
Wataghin”, Universidade Estadual de Campinas, 13083-970 Campinas SP, Brazil
2012en
ABI
Abstract
Graphene is considered one of the most promising materials for future electronics. However, in its pristine form, graphene is a gapless material, which imposes limitations to its use in some electronic applications. 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.
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Cited by 30 references