Metals doped carbon nanotubes and carbon nanocages (Co2-CNT(8, 0) and Sc2-C78) as catalysts of ORR in fuel cells.

The nano structures (CNT(8, 0) and C78) are doped with two Co and Sc metals in order to obtain the suitable catalysts to process the ORR. The effects of different solvents on ORR on Co-C-C-Co-CNT(8, 0) and Sc-C78 are examined in benzene, methanol and water by polarizable continuum model. The ORR on Co-C-C-Co-CNT(8, 0) and Sc-C-C-Sc-C78 are processed by two paths as follow: *OOH-Co-C-C-Co-CNT(8, 0) → *OH-Co-C-C-Co-CNT(8, 0)-*OH → *OH-Co-C-C-Co-CNT(8, 0)→ *Co-C-C-Co-CNT(8, 0) reactions and *OOH-Co-C-C-Co-CNT(8, 0) → *OH-Co-C-C-Co-CNT(8, 0)-*OH → *OH-Co-C-C-Co-CNT(8, 0)→ *Co-C-C-Co-CNT(8, 0) reactions. Results shown that the Co-C-C-Co-CNT(8, 0) has higher potential than Sc-C-C-Sc-C78 for ORR in benzene, methanol and water. Over potential on Co-C-C-Co-CNT(8, 0) and Sc-C-C-Sc-C78 are lower than various metals based nano catalysts.