催化作用
碳纤维
动力学
氧气
化学工程
氮气
材料科学
密度泛函理论
多孔性
化学
无机化学
纳米技术
计算化学
复合材料
有机化学
工程类
物理
量子力学
复合数
作者
Yanqiu Wang,XinJing Huang,Jing Wang,Wenhao He,Zhongliang Tian,Ya Li,Wenzhang Li
标识
DOI:10.1016/j.jechem.2024.07.063
摘要
Metal-free carbon-based materials offer a promising alternative to Pt-based catalysts for the oxygen reduction reaction (ORR). However, challenges persist due to its sluggish kinetics and poor acid ORR performance. Here, we introduce a novel nitrogen-doped porous carbon with rich defects sites (such as pentagons, edge and vacancy defects) (PV/HPC) via a simple etching strategy. The PV/HPC demonstrates long-term stability and exceptional catalytic activity with half-wave potential of 0.9 V and average electron transfer number of 3.98 in alkaline solution while 0.78 V and 3.78 in acidic solution, indicating its efficiency and robustness as an ORR catalyst. Additionally, it achieves a higher kinetic current density of 91.9 mA cm−2 at 0.8 V, which is 1.75 times that of Pt/C (52.5 mA cm−2). Furthemore, it enables Al-air battery to attain a maximum power density of 487 mW cm−2, compared to 477 mW cm−2 for the Pt/C catalyst. Density functional theory (DFT) calculations elucidate that the introduction of multifunctional defects in nitrogen-doped porous carbon collectively reduces the reaction energy barrier of the departure of OH* and boosts the oxygen reduction reaction kinetics. This work presents a simple method to design durable and effective carbon-based ORR catalysts.
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