Empirical prediction of optical transitions in metallic armchair SWCNTs

Figures & data

Table 1. Experimental (Liu et al., 2012) and the empirical values of the second optical transition energy of 16 armchair SWCNTs

n	m	Diamater dt (nm)	Experimental E66 (ev)	Empirical E66 (ev) from Equation 3	Empirical E66 (ev) from Equation 1
15	15	2.063	2.52	2.503	2.505
16	16	2.200	2.38	2.389	2.386
17	17	2.338	2.30	2.284	2.277
18	18	2.475	2.19	2.188	2.177
19	19	2.613	2.11	2.099	2.085
20	20	2.750	2.02	2.016	2.000
21	21	2.888	1.94	1.940	1.922
22	22	3.026	1.87	1.869	1.849
23	23	3.163	1.80	1.803	1.781
24	24	3.301	1.74	1.742	1.718
25	25	3.438	1.68	1.684	1.659
26	26	3.576	1.62	1.630	1.604
27	27	3.713	1.57	1.579	1.552
28	28	3.851	1.49	1.531	1.503
29	29	3.988	1.48	1.487	1.458
30	30	4.126	1.43	1.444	1.415

Table 2. Experimental (Liu et al., 2012) and the empirical values of the third optical transition energy of 13 armchair SWCNTs

n	m	Diamater dt (nm)	Experimental E99 (ev)	Empirical E99 (ev) from Equation 4	Empirical E99 (ev) from Equation 2
23	23	3.163	2.52	2.512	2.494
24	24	3.301	2.44	2.434	2.415
25	25	3.438	2.36	2.360	2.34
26	26	3.576	2.29	2.290	2.27
27	27	3.713	2.23	2.224	2.203
28	28	3.851	2.14	2.162	2.14
29	29	3.988	2.10	2.103	2.08
30	30	4.126	2.05	2.047	2.023
31	31	4.263	1.99	1.994	1.969
32	32	4.401	1.94	1.943	1.918
33	33	4.538	1.89	1.895	1.87
34	34	4.676	1.84	1.849	1.823
35	35	4.813	1.80	1.805	1.779

Figure 1. Experimental value (black), the empirical value from this work (red) and the empirical value from earlier work (blue) of optical transition vs. diameter of armchair SWCNTs, (a) the second optical transition, (b) the third optical transition.

Liu, K., Deslippe, J., Xiao, F., Capaz, R. B., Hong, X., Aloni, S., … Wang, F. (2012). An atlas of carbon nanotube optical transitions. Nature Nanotechnology, 7, 325–329.10.1038/nnano.2012.52

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