Narrow Graphene Nanoribbons Made Easier by Partial Hydrogenation

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