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cited By 8International audienceWe show that a finite in-plane piezoelectricity can be induced in graphene by breaking its inversion center with any in-plane defect, in the limit of vanishing defect concentration. We first consider different patterns of BN-doped graphene sheets of D<inf>3h</inf> symmetry, whose electronic and piezoelectric (dominated by the electronic rather than nuclear term) properties are characterized at the ab initio level of theory. We then consider other in-plane defects, such as holes of D<inf>3h</inf> or C<inf>2v</inf> point symmetry, and confirm that a common limit value (for low defect concentration) of the piezoelectric response of graphene is obtained regardless of the particular chemical or physical nature of the defects (e<inf>11</inf> ≈ 4.5 × 10-10 C/m and d<inf>11</inf> ≈ 1.5 pm/V for direct and converse piezoelectricity, respectively). This in-plane piezoelectric response of graphene is one-order of magnitude larger than the out-of-plane previously investigated one. © 2015 American Chemical Society

Inducing a Finite In-Plane Piezoelectricity in Graphene with Low Concentration of Inversion Symmetry-Breaking Defects