“Narrow” Graphene Nanoribbons Made Easier by Partial Hydrogenation

Abstract

It is highly desirable to produce narrow-width graphene nanoribbons (GNRs) with smooth edges in large scale. In an attempt to solve this difficult problem, we examined the hydrogenation of GNRs on the basis of first principles density functional calculations. Our study shows that narrow GNRs can be readily obtained from wide GNRs by partial hydrogenation. The hydrogenation of GNRs starts from the edges of GNRs and proceeds gradually toward the middle of the GNRs so as to maximize the number of carbon-carbon pi-pi bonds, hence effectively leading to narrower GNRs. Furthermore, the partially hydrogenated wide GNRs have similar electronic and magnetic properties as those of the narrow GNRs representing their graphene parts. Therefore, partial hydrogenation of wide GNRs should be a practical and reliable method to produce narrow GNRs in large scale.