| Literature DB >> 19731918 |
Giovanni Cantele1, Young-Su Lee, Domenico Ninno, Nicola Marzari.
Abstract
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.Entities:
Year: 2009 PMID: 19731918 DOI: 10.1021/nl901557x
Source DB: PubMed Journal: Nano Lett ISSN: 1530-6984 Impact factor: 11.189