Twin graphene: A novel two-dimensional semiconducting carbon allotrope

JW Jiang and JT Leng and JX Li and ZR Guo and TC Chang and XM Guo and TY Zhang, CARBON, 118, 370-375 (2017).

DOI: 10.1016/j.carbon.2017.03.067

Graphene has been expected to revolutionize the electronics, but suffered from its zero bandgap that will lead to an unacceptable leakage current in graphene-based transistors. Although a bandgap engineered graphene structure may have a bandgap, such bandgap is sensitively dependent on the geometry of the structure. Finding new two-dimensional (2D) semiconducting carbon allotropes is therefore extremely important for the new emerging all-carbon electronics. Based on first principles calculations, here we predict a new 2D semiconducting carbon allotrope, referred to as twin graphene. The allotrope has an intrinsic direct bandgap, very close to that of silicon and tunable by in-plane strain, indicating its great potential in nanoelectronics. The stability of twin graphene is carefully verified by both the first principles calculations and the molecular dynamics simulations. We determine also the mechanical properties of twin graphene, including the in-plane stiffness, Poisson's ratio, shear stiffness and bending stiffness. Its excellent electronic and mechanical properties suggest that twin graphene may have a significant impact on many disciplines and fields related to nanotechnology. (C) 2017 Elsevier Ltd. All rights reserved.

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