Potential of Vanadium (V) doped CNT(10,0) and Manganese (Mn) doped carbon nanocage (C60) as catalysts for oxygen reduction reaction in fuel cells

In this work, possible mechanisms of ORR on V-CNT(10, 0) and Mn-2-C-60 are investigated. The ORR on V-CNT(10, 0) and Mn-2-C-60 is processed through two acceptable paths. Results indicated that the V-CNT(10, 0) and Mn-2-C-60 have great tolerance against the CO poisoning. Results demonstrated that the O-2 dissociation of *O-2-V-CNT(10, 0) and *O-2-Mn-2-C-60 are occurred difficulty because the reaction barrier energies are 1.48 and 1.22 eV, respectively. Results shown that Mn-2-C-60 has lower potential than V-CNT(10, 0) to adsorb the CO and so Mn-2-C-60 has lower CO poisoning than V-CNT(10, 0). Results shown than the V-CNT(10, 0) has lower over potential for ORR than Mn-2-C-60. The V-CNT(10, 0) and Mn-2-C-60 catalysts with lower over potential than Palladium catalysts for ORR in fuel cell.

Automated summary

This study investigates the mechanism and tolerance of V-CNT(10, 0) and Mn-2-C-60 in ORR, revealing their higher tolerance against CO poisoning and lower over potential compared to Palladium catalysts in fuel cell. Mn-2-C-60 is shown to have lower CO poisoning and potential for adsorbing CO, while V-CNT(10, 0) exhibits lower over potential for ORR than Mn-2-C-60.