Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons

Details Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons Enhanced stability of hydrogen atoms at the graphene/graphane interface of nanoribbons

2010-11-18

arxiv.org/abs/1011.4167v1

Appl. Phys. Lett. 97, 233109 (2010)

Physics

Condensed Matter

Materials Science

13 pages, 1 figure, 2 tables to appear in Appl. Phys. Lett

Scientific paper

10.1063/1.3525377

The thermal stability of graphene/graphane nanoribbons (GGNRs) is investigated using density functional theory. It is found that the energy barriers for the diffusion of hydrogen atoms on the zigzag and armchair interfaces of GGNRs are 2.86 and 3.17 eV, respectively, while the diffusion barrier of an isolated H atom on pristine graphene was only ~0.3 eV. These results unambiguously demonstrate that the thermal stability of GGNRs can be enhanced significantly by increasing the hydrogen diffusion barriers through graphene/graphane interface engineering. This may provide new insights for viable applications of GGNRs.

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