Table 1.

Resume of the total energy for 8(2-Et-C₆H₁₁O)CoPc-Py-CNT, CoPc-Py-CNT, and 16(F)-CoPc-Py-CNT with and without the O₂ molecule adsorbed on the Co metal center for the allowed spin states.

m (μB)	8β(2-Et- C6H11O)CoP c-Py-CNT	O2-8β(2-Et-C6H11O)CoP c-Py-CNT	CoPc-Py-CNT	O2-CoPc-Py-CNT	16(F)-CoPc-Py-CNT	O2-16(F)CoPc-Py-CNT
	Etotal (eV)	Etotal (eV)	Etotal (eV)	Etotal (eV)	Etotal (eV)	Etotal (eV)
0	E0 + 0.06	E0 + 0.04	E0 + 0.06	E0 + 0.08	E0 + 0.05	E0 + 0.04
1	E0	E0 + 0.08	E0	E0	E0	E0 +0.09
2	E0 + 0.03	E0	E0 + 0.04	E0 + 0.04	E0 + 0.04	E0
3	E0 + 0.10	E + 0.09	E0 + 0.15	E0 + 0.13	E0 + 0.15	E0 + 0.11