Physics – Condensed Matter – Materials Science
Scientific paper
2009-09-07
Physics
Condensed Matter
Materials Science
14 pages, 5 figures
Scientific paper
10.1021/nl901557x
We characterize the transport properties of functionalized graphene nanoribbons using extensive first-principles calculations based on density functional theory (DFT) that encompass both monovalent and divalent ligands, hydrogenated defects and vacancies. We find that the edge metallic states are preserved under a variety of chemical environments, while bulk conducting channels can be easily destroyed by either hydrogenation or ion or electron beams, resulting in devices that can exhibit spin conductance polarization close to unity.
Cantele Giovanni
Lee Young-Su
Marzari Nicola
Ninno Domenico
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