Barrierless procedure for substitutionally doping graphene sheets with boron atoms: ab initio calculations

Details Barrierless procedure for substitutionally doping graphene sheets with boron atoms: ab initio calculations Barrierless procedure for substitutionally doping graphene sheets with boron atoms: ab initio calculations

2008-10-13

arxiv.org/abs/0810.2147v2

Physics

Condensed Matter

Materials Science

Accepted Physical Review B

Scientific paper

10.1103/PhysRevB.79.033412

Using ab initio methods, we propose a simple and effective way to substitutionally dope graphene sheets with Boron. The method consists of selectively exposing each side of the graphene sheet to different elements. We first expose one side of the membrane to Boron, while the other side is exposed to Nitrogen. Proceeding this way, the B atoms will be spontaneously incorporated into the graphene membrane, without any activation barrier. In a second step, the system should be exposed to a H-rich environment, that will remove the CN radical from the layer and form HCN, leading to a perfect substitutional doping.

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