Abstract

Graphane has grabbed the attention of scientific community for its remarkable properties. Present study reveals the effect of boron and nitrogen doping on electronic and mechanical properties of graphane through density functional calculations. Doping concentration has been varied from 2 to 8 percent, strain is applied along the Zig-zag direction and is within the elastic limit of sheet. Band and strength of graphane are reduced to a greater extent with the introduction of B dopants in comparison to N dopants.

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