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Single-vacancy-induced transformation of electronic properties in armchair graphene nanoribbons
2013
Wuli xuebao
Using first principle and based on the density functional theory, we have studied the effect of the single vacancy on the electronic properties of armchair graphene nanoribbons (AGNRs). Results show that the system is the most stable when the vacancy is at edge site. It is found that AGNRs always become metallic, regardless of the vacancy position. As the vacancy concentration decreases, the influence of the vacancy position on band structures becomes weaker and weaker. As the ribbon width
doi:10.7498/aps.62.177101
fatcat:uu3j35qfmfh2tbfzhdbhjn7gmu