Table 2 Free electron densities for various numbers and positions of adatoms in N A = 12 and N z = 8 alkali-adsorbed GNRs.
From: Alkali-created rich properties in grapheme nanoribbons: Chemical bondings
GNR systems | configurations | λ (107 e/cm) | λ/adatom concentration (e) | Bader charge transfer (e) |
|---|---|---|---|---|
Armchair N A = 12 | (3, 7) single | 4.67 | 1.008 | 0.69 |
(3, 7) double | 4.62 | 0.989 | 0.75 | |
(1, 10) single | 4.68 | 1.008 | 0.74 | |
(1, 10) double | 4.67 | 1.008 | 0.74 | |
(1, 4, 7, 10) double | 9.24 | 0.994 | 0.71 | |
(1, 2, 5, 6, 9, 10) double | 13.96 | 1.007 | 0.70 | |
Zigzag N Z = 8 | (1) single | 2.02 | 1.001 | 0.88 |
(7) single | 2.03 | 1.009 | 0.89 | |
(1, 13) single | 4.10 | 1.015 | 0.88 | |
(1, 13) double | 4.02 | 1.001 | 0.88 |
