纳米笼
氧还原反应
掺杂剂
碳纤维
碳纳米管
催化作用
密度泛函理论
纳米技术
化学
氧还原
兴奋剂
材料科学
计算化学
电化学
物理化学
电极
有机化学
复合材料
复合数
光电子学
作者
Yue Jiang,Lijun Yang,Tao Sun,Jianwei Zhao,Zhiyang Lyu,Ou Zhuo,Xizhang Wang,Qiang Wu,Jing Ma,Zheng Hu
标识
DOI:10.1021/acscatal.5b01835
摘要
While the field of carbon-based metal-free electrocatalysts for oxygen reduction reaction (ORR) has experienced great progress in recent years, the fundamental issue of the origin of ORR activity is far from being clarified. To date, the ORR activities of these electrocatalysts are usually attributed to different dopants, while the contribution of intrinsic carbon defects has been explored little. Herein, we report the high ORR activity of the defective carbon nanocages, which is better than that of the B-doped carbon nanotubes and comparable to that of the N-doped carbon nanostructures. Density functional theory calculations indicate that pentagon and zigzag edge defects are responsible for the high ORR activity. The mutually corroborated experimental and theoretical results reveal the significant contribution of the intrinsic carbon defects to ORR activity, which is crucial for understanding the ORR origin and exploring the advanced carbon-based metal-free electrocatalysts.
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