A Nonzero Gap Two-Dimensional Carbon Allotrope from Porous Graphene

Abstract

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.

Published on J. Phys. Chem. C, 2012, 116 (23), pp 12810-12813

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• Mechanical, optoelectronic and transport properties of single-layer Ca2N and Sr2N electrides
• Graphenylene nanoribbons: electronic, optical and thermoelectric properties from first-principles calculations
• Me-graphane: tailoring the structural and electronic properties of Me-graphene by hydrogenation
• Thermomechanical Insight into the Stability of Nanoporous Graphene Membranes
• A Concise Review of Recently Synthesized 2D Carbon Allotropes: Amorphous Carbon, Graphynes, Biphenylene and Fullerene Networks
• On the Elastic Properties of Single-Walled Phagraphene Nanotubes
• Ground state determination and band gaps of bilayers of graphenylenes and octafunctionalized-biphenylenes
• Tetra-penta-deca-hexagonal-graphene (TPDH-graphene) hydrogenation patterns: dynamics and electronic structure
• N-Carbophenes: two-dimensional covalent organic frameworks derived from linear N-phenylenes
• Engineering two-dimensional kagome topological insulator from porous graphene
• Noncentrosymmetric two-dimensional Weyl semimetals in porous Si/Ge structures
• Tunable bandgaps and flat bands in twisted bilayer biphenylene carbon
• Charge Density Wave Transport in Porous Graphene Nanoribbons
• Graphene-like Membranes: From Impermeable to Selective Sieves