From Glaphene to Glaphynes: A Hybridization of Two-Dimensional Silica Glass and Graphynes

High Resolution Image Download MS PowerPoint Slide Hybrid two-dimensional (2D) materials have attracted increasing interest as platforms for tailoring electronic properties through interfacial design. Very recently, a hybrid 2D material termed glaphene, which combines monolayers of 2D silica glass and graphene, was experimentally realized. Inspired by glaphenes, we proposed a class of similar structures named glaphynes, which are formed by stacking SiO 2 monolayers onto α-, β-, and γ-graphynes. Graphynes are 2D carbon allotropes with the presence of acetylenic groups (triple bonds). The glaphynes’ structural and electronic properties were investigated using the self-consistent-charge density functional tight-binding (SCC-DFTB) method, as implemented in the DFTB+ package. Our analysis confirms their energetic and structural stability. We have observed that in the case of glaphynes, the electronic proximity effect can indeed open the electronic band gap, but not for all cases, even with the formation of Si–O–C bonds between silica and graphynes.