Issue 22, 2012

Diamondization of chemically functionalized graphene and graphene–BN bilayers

Abstract

In this article, based on first-principles calculations, we systematically study functionalization induced diamondization of graphene bilayer and graphene–BN hybrid bilayer. With single-side functionalization, the diamondized structures are magnetic semiconductors. Interestingly, if both sides of the bilayer are functionalized, diamondization becomes spontaneous without a barrier. On the other hand, when the bottom layer of the bilayer graphene is replaced by a single hexagonal BN layer, the diamondized structure becomes a nonmagnetic metal. The tunable electronic and magnetic properties pave new avenues to construct graphene-based electronics and spintronics devices.

Graphical abstract: Diamondization of chemically functionalized graphene and graphene–BN bilayers

Supplementary files

Additions and corrections

Article information

Article type
Paper
Submitted
29 Feb 2012
Accepted
16 Apr 2012
First published
16 Apr 2012

Phys. Chem. Chem. Phys., 2012,14, 8179-8184

Diamondization of chemically functionalized graphene and graphene–BN bilayers

L. Yuan, Z. Li, J. Yang and J. G. Hou, Phys. Chem. Chem. Phys., 2012, 14, 8179 DOI: 10.1039/C2CP40635G

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