Effect of oxygen doping on the stability and band structure of borophene nanoribbons

By using first-principles calculations, the effect of oxygen dopants on the stability and electronic properties of borophene nanoribbons (BNRs) is studied. The doping by oxygen atoms is found as an effective way to increase the stability of BNRs and switched them from a metallic material to semimetal or semiconductor. Our results suggest that the line-edge BNRs exhibit a high stability, while the zigzag-edge BNRs are unstable. In addition, it is predicted that oxygen dopants can stabilize the structure of zigzag-edge BNRs and increase the stability of the line-edge BNRs.