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 $$^{-6}$$ - 6 A cm $$^{-2}$$ - 2 and 0.52, respectively. Results demonstrate that boron-doped CNC is a high-potential catalyst to ORR.

中文翻译：

---

燃料电池碳纳米锥（CNC）上氧还原反应（ORR）的理论研究

最近，进行了各种研究以提出和发现各种燃料电池中氧还原反应 (ORR) 的可接受催化剂。在这里，通过理论方法检查了掺硼碳纳米锥 (CNC) 作为 ORR 催化剂的性能。研究了通过 ER 和 LH 机制的 ORR 路径。结果表明，硼-CNC 对 ORR 的起始电位和过电位分别为 0.73 和 0.50 V。B-CNC 的计算交换电流密度和传递系数约为。6.5 $$\times $$ × 10 $$^{-6}$$ - 6 A cm $$^{-2}$$ - 分别为 2 和 0.52。结果表明，掺硼 CNC 是 ORR 的高电位催化剂。