Inorganic Graphenylene: A Porous Two-Dimensional Material With Tunable Band Gap

Abstract

By means of ab initio calculations we investigate the possibility of existence of a boron nitride (BN) porous two-dimensional nanosheet which is geometrically similar to the carbon allotrope known as biphenylene carbon. The proposed structure, which we called Inorganic Graphenylene (IGP), is formed spontaneously after selective dehydrogenation of the porous Boron Nitride (BN) structure proposed by Ding et al. We study the structural and electronic properties of both porous BN and IGP and it is shown that, by selective substitution of B and N atoms with carbon atoms in these structures, the band gap can be significantly reduced, changing their behavior from insulators to semiconductors, thus opening the possibility of band gap engineering for this class of two-dimensional materials.

References in corpus (5)

• Electric Field Effect in Atomically Thin Carbon Films
• The electronic properties of graphene
• Control of graphene's properties by reversible hydrogenation
• Fluorographene: Two Dimensional Counterpart of Teflon
• A Nonzero Gap Two-Dimensional Carbon Allotrope from Porous Graphene

Cited by in corpus (6)

• Strain effects on electronic and optic properties of monolayer C${}_2$N holey two-dimensional crystals
• Graphenylene-1 Membrane: An Excellent Candidate for Hydrogen Purification and Helium Separation
• Two-dimensional octagon-structure monolayer of nitrogen group elements and the related nano-structures
• A Structural Insight into Mechanical Strength of Graphene-like Carbon and Carbon Nitride Networks
• Theoretical insights on structural, electronic and thermoelectric properties of inorganic biphenylene: non-benzenoid Boron nitride
• A Concise Review of Recently Synthesized 2D Carbon Allotropes: Amorphous Carbon, Graphynes, Biphenylene and Fullerene Networks