催化作用
碳纤维
材料科学
兴奋剂
吸附
化学工程
Atom(片上系统)
金属
甲醇
密度泛函理论
纳米技术
无机化学
化学
计算化学
物理化学
复合材料
有机化学
光电子学
复合数
冶金
计算机科学
工程类
嵌入式系统
作者
Juanjuan Huo,Xiaomei Cao,Yaping Tian,Lü Li,Junpeng Qu,Yuhan Xie,Xinming Nie,Yufei Zhao,Jinqiang Zhang,Hao Liu
出处
期刊:Nanoscale
[The Royal Society of Chemistry]
日期:2023-01-01
卷期号:15 (11): 5448-5457
被引量:27
摘要
Developing efficient and robust catalysts to replace Pt group metals for the oxygen reduction reaction (ORR) is conducive to achieving highly efficient energy conversion. Here, we develop a general ion exchange strategy to construct highly efficient ORR catalysts consisting of various atomically dispersed metal atoms anchored on N-doped porous carbon (M-SAs/NC) to investigate the atomic structure-catalytic activity relationship. The structure characterization results demonstrated that the achieved atomic structure varied due to the presence of different metal centers. Mn-SAs/NC consists of MnN3O1 centers, in which the Mn single atoms are stabilized by 3 N and 1 O. In contrast, the center metals in Fe-/Co-/Cu single-atom catalysts are coordinated by merely N atoms. Mn-SAs/NC delivers superior performance for the ORR with a half-wave potential (E1/2) of 0.91 V vs. RHE in 0.1 M KOH solution, outperforming that of the commercial Pt/C catalyst and the control Fe-/Co-/Cu single-atom catalysts. Furthermore, Mn-SAs/NC also shows excellent methanol tolerance and stability up to 5000 cycles. Density functional theory (DFT) calculations reveal that Mn single atom catalysts with MnN3O1 centers contributed to the superior ORR performance with lower energy barriers and optimized adsorption capacity of intermediates. These findings provide insights into the design and development of specific coordinated structures of atomically dispersed catalysts to facilitate the practical applications of energy conversion.
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