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Indexed by:期刊论文

Date of Publication:2012-09-28

Journal:NANOTECHNOLOGY

Included Journals:SCIE、EI、Scopus

Volume:23

Issue:38

ISSN No.:0957-4484

Abstract:From first-principles calculations, we predict a planar stable graphene allotrope composed of a periodic array of tetragonal and octagonal (4, 8) carbon rings. The stability of this sheet is predicted from the room-temperature molecular dynamics study and the electronic structure is studied using state-of-the-art calculations such as the hybrid density functional and the GW approach. Moreover, the mechanical properties of (4, 8) carbon sheet are evaluated from the Young's modulus and intrinsic strength calculations. We find this is a stable planar semiconducting carbon sheet with a bandgap between 0.43 and 1.01 eV and whose mechanical properties are as good as graphene's.