297 research outputs found
Barrierless procedure for substitutionally doping graphene sheets with boron atoms: ab initio calculations
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.Comment: Accepted Physical Review
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