Table 2. Calculated Peak Shifts and FWHMs of C 1s Spectra and Work Function of Structures in Figure 2.
| number of heptagons | 0 | 2 | 4 | 6 | 8 | |
| ratio of the number of carbon atoms (C1:C2:C3) | 100:26:0 | 64:30:14 | 54:34:28 | 44:38:42 | 42:44:56 | |
| percentage of C3/% | 0 | 13 | 24 | 34 | 39 | |
| whole C 1s spectrum (C1 + C2 + C3) | peak top/eV | 284.0 | 284.1 | 284.3 | 284.4 | 283.5 |
| FWHM/eV | 1.25 | 1.35 | 1.50 | 1.45 | 1.40 | |
| C1 (hexagon) | peak top/eV | 284.0 | 284.3 | 284.4 | 284.3 | 283.5 |
| peak shift of C1 from C1 of GNF/eV | 0 | 0.3 | 0.4 | –0.1 | –0.5 | |
| FWHM/eV | 1.15 | 1.20 | 1.25 | 1.20 | 1.20 | |
| C2 (C–H) | peak top/eV | 283.7 | 283.8 | 284.0 | 284.1 | 283.2 |
| peak shift of C2 from C1/eV | –0.3 | –0.5 | –0.4 | –0.2 | –0.3 | |
| FWHM/eV | 1.15 | 1.15 | 1.25 | 1.20 | 1.20 | |
| C3 (heptagon) | peak top/eV | 284.7 | 284.7 | 284.6 | 283.7 | |
| peak shift of C3 from C1/eV | 0.4 | 0.3 | 0.3 | 0.2 | ||
| FWHM/eV | 1.20 | 1.20 | 1.20 | 1.30 | ||
| work functiona/eV | 3.98 | 3.84 | 3.56 | 3.51 | 4.27 | |
| averaged number of electrons of one carbon atom on one heptagonb | 5.997 | 5.998 | 6.000 | 6.001 |
a
Work function: energy difference between HOMO level and vacuum level.
b
Averaged number of electrons of one carbon atom on one heptagon: the calculated method is shown in Supporting Information.