1. Covalent organic frameworks derived Single-Atom cobalt catalysts for boosting oxygen reduction reaction in rechargeable Zn-Air batteries.
- Author
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Chen, Zhenghao, Zheng, Hao, Zhang, Jinhui, Jiang, Zeyi, Bao, Cheng, Yeh, Chen-Hao, and Lai, Nien-Chu
- Subjects
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COBALT catalysts , *OXYGEN reduction , *LITHIUM-air batteries , *METAL-air batteries , *DENSITY functional theory , *POWER density , *ENERGY density , *MOLECULAR dynamics - Abstract
[Display omitted] The design and development of high-performance and long-life Pt-free catalysts for the oxygen reduction reaction (ORR) is of great important with respect to metal-air batteries and fuel cells. Herein, a new low-cost covalent organic frameworks (COFs)-derived Co N C single-atoms catalyst (SAC) is fabricated and compared with the engineered nanoparticle (NP) counterpart for ORR activity. The ORR performance of the SAC catalyst (Co SA @NC) surpasses the NP counterpart (Co NP -NC) under the same operation condition. Co SA @NC also achieves improved long-term durability and better methanol tolerance compared with the Pt/C. The zinc-air battery assembled by the Co SA @NC cathode delivers a higher power density and energy density than that of commercial Pt/C catalyst. Molecular dynamics (MD) is performed to explain the spontaneous evolution from clusters to single-atom metal configuration and density functional theory (DFT) calculations find that Co SA @NC possesses lower d -band center, resulting in weaker interaction between the surface and the O-containing intermediates. Consequently, the reductive desorption of OH*, the rate-determine step, is further accelerated. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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