Physics – Condensed Matter – Materials Science
Scientific paper
2009-05-12
Nano Lett. 2009
Physics
Condensed Matter
Materials Science
Scientific paper
10.1021/nl902198u
It is a challenge to synthesize graphene nanoribbons (GNRs) with narrow widths and smooth edges in large scale. Our first principles study on the hydrogenation of GNRs shows that the hydrogenation 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. Furthermore, the partially hydrogenated wide GNRs have similar electronic and magnetic properties as those of narrow GNRs. Therefore, it is not necessary to directly produce narrow GNRs for realistic applications because partial hydrogenation could make wide GNRs "narrower".
Kan Erjun
Wei Su-Huai
Whangbo Myung-Hwan
Xiang Hongjun
Yang Jinlong
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