DFT Study on Adiabatic and Vertical Ionization Potentials of Graphene Sheets

Table 2

Properties of optimized graphene sheets as described in the paper.

Graphene sheet	Length ()^a, Å	Length (), Å	, Å	IPA, eV	IPV, eV
3 × 3	3.656	3.683	0.027	6.10	6.15
4 × 4	6.100	6.117	0.017	5.46	5.49
5 × 5	8.607	8.593	0.014	5.08	5.09
6 × 6	11.056	11.073	0.017	4.85	4.86
7 × 7	13.507	13.518	0.011	3.76	3.85

Length () is the length of the graphene sheet as described in Figure 3; ^b = Length () − Length ().