Abstract

The electronic and magnetic properties of the O-terminated chevron-type zigzag-edge graphene nanoribbons (CZGNR) connected by two different kinds of kink angles (120° or 60°) have been investigated by the first-principle calculations. It is found that the O termination on the CZGNR induces the richer electronic and magnetic features than on the straight zigzag-edge graphene nanoribbons, which are sensitive to their widths, lengths, and kink angles. Interestingly, asymmetric edge terminations with O and H atoms can be used to produce some ferromagnetic semiconductors of CZGNR, giving a new approach to tailor the GNRʼs properties and designing the carbon-based magnetic materials.

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