Effect of edge-hydrogen passivation and saturation on the carrier mobility of armchair graphene nanoribbons

Armchair graphene nanoribbons as well as those with hydrogen-passivated or hydrogen-saturated edges are investigated by using self-consistent field crystal orbital method based on density functional theory. The investigation indicates that different band gap alterations and polarity behaviors with respect to the width exist in these nanoribbons. The carrier mobilities obtained under deformation potential theory decrease with the addition of edge-hydrogens, but are still in the same order. However, edge-hydrogen passivation could be helpful to reduce edge disorder and degradation of carrier mobilities.