Journal
APPLIED PHYSICS LETTERS
Volume 91, Issue 11, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.2783196
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Zigzag-edge graphene nanostrips could be terminated with a variety of atoms or functional groups. Presented local-density-functional calculations show that these different species have a significant impact on the electronic structure of these strips near the Fermi level. The terminations covered include hydrogen and oxygen atoms as well as hydroxyl and imine groups. Zigzag-edge nanostrips terminated with hydrogen atoms or hydroxyl groups exhibit spin polarization in equilibrium, while the nanostrips terminated with oxygen or imine groups are unpolarized, leading to much different low-bias transport properties.
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