Table 3. Length (L_x) Dependence (in Å) of the Conductivity σ_x along the Length of the GNR in Units of (in Bold), and LUMO–HOMO Gaps in eV, for Various Constant Width (L_y) Armchair GNRs Consisting of n (n = 3, 4, 6, 8, 10, 13, 18, 20, 24)× Armchair Rings along the x-axis (Perpendicular to the Zigzag Edges) and m (m = 3, 4, 5) Rings along Their Width, with Widths about 9.2 Å (3 Rings, 3×), 11.7 Å (4 Rings, 4×), and 14.1 Å (5 Rings, 5×), Respectively.

		3×	4×	6×	8×	10×	13×	18×	20×	24×
GNR width (Ly)/Å	properties	Lx/Å	Lx/Å	Lx/Å	Lx/Å	Lx/Å	Lx/Å	Lx/Å	Lx/Å	Lx/Å
		13.6	17.9	26.5	34.9	43.6	56.5	77.8	86.5	103.6
3× Ly = 9.2		0.03	0.08	0.37	1.04	2.31	5.88	18.53	26.66	53.20
	L–H(eV)	1.239	0.729	0.263	0.144	0.102	0.074	0.051	0.046	2.68a 0.037
4× Ly = 11.7		0.04	0.11	0.38	1.01	2.15	5.27	16.04	22.94	45.16
	L–H (eV)	0.589	0.320	0.169	0.119	0.093	0.070	0.049	0.044	1.75a 0.037
5× Ly = 14.1		0.04	0.11	0.39	1.11	2.19	5.28	16.62	24.54	48.93
	H–L (eV)	0.386	0.254	0.156	0.114	0.090	0.068	0.049	0.044	0.45a 0.037

^aThe underlined numbers in the last column correspond to the gap-defining (“effective”) LUMO–HOMO gaps (i.e., the gaps between HOMO–1 and LUMO+1 in the present case, see text).