"Narrow" graphene nanoribbons made easier by partial hydrogenation.
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.
Xiang
Hongjun
H
National Renewable Energy Laboratory, Golden, Colorado 80401, USA. hongjun_xiang@nrel.gov
Kan
Erjun
E
Wei
Su-Huai
SH
Whangbo
Myung-Hwan
MH
Yang
Jinlong
J
D003460:Crystallization / Q000379:methods*; D006108:Graphite / Q000737:chemistry*; D006859:Hydrogen / Q000737:chemistry*; D046911:Macromolecular Substances / Q000737:chemistry; D008422:Materials Testing; D008968:Molecular Conformation; D049329:Nanostructures / Q000737:chemistry* / Q000648:ultrastructure*; D036103:Nanotechnology / Q000379:methods*; D010316:Particle Size; D013499:Surface Properties
D046911:Macromolecular Substances; D006108:Graphite; D006859:Hydrogen