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Edge-functionalized and substitutionally doped graphene nanoribbons: Electronic and spin properties

✍ Scribed by Cervantes-Sodi, F.; Csányi, G.; Piscanec, S.; Ferrari, A. C.

Book ID
119957809
Publisher
The American Physical Society
Year
2008
Tongue
English
Weight
749 KB
Volume
77
Category
Article
ISSN
1098-0121

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## Abstract We perform __ab initio__ calculations for graphene nanoribbons (GNRs) using density‐functional theory (DFT) and generalized gradient approximation (GGA) functionals. We present results for the dependence of the band structures and energy gaps on the ribbon widths for armchair and zigzag