Abstract
Recently, various studies were performed to propose and discover acceptable catalysts for oxygen reduction reaction (ORR) in various fuel cells. Here, performance of boron-doped carbon nanocone (CNC) as catalyst to ORR via theoretical methods is examined. The ORR paths through ER and LH mechanisms were studied. Results showed that onset-potential and over-potential on ORR of boron–CNC were 0.73 and 0.50 V, respectively. The calculated exchange current density and transfer coefficient of B–CNC were ca. 6.5 $$\times $$ 10 $$^{-6}$$ A cm $$^{-2}$$ and 0.52, respectively. Results demonstrate that boron-doped CNC is a high-potential catalyst to ORR.
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