催化作用
双功能
扫描透射电子显微镜
碳纤维
材料科学
密度泛函理论
Atom(片上系统)
热解
金属
吸附
纳米技术
化学
物理化学
透射电子显微镜
计算化学
复合数
有机化学
计算机科学
冶金
复合材料
嵌入式系统
作者
Xiaorong Lin,Qingqing Li,Yixuan Hu,Zeyu Jin,Kolan Madhav Reddy,Kaikai Li,Xi Lin,Lijie Ci,Hua‐Jun Qiu
出处
期刊:Small
[Wiley]
日期:2023-04-14
卷期号:19 (30)
被引量:9
标识
DOI:10.1002/smll.202300612
摘要
Anchoring single metal atom to carbon supports represents an exceptionally effective strategy to maximize the efficiency of catalysts. Recently, dual-atom catalysts (DACs) emerge as an intriguing candidate for atomic catalysts, which perform better than single-atom catalysts (SACs). However, the clarification of the polynary single-atom structures and their beneficial effects remains a daunting challenge. Here, atomically dispersed triple Zn-Co-Fe sites anchored to nitrogen-doped carbon (ZnCoFe-N-C) prepared by one-step pyrolysis of a designed metal-organic framework precursor are reported. The atomically isolated trimetallic configuration in ZnCoFe-N-C is identified by annular dark-field scanning transmission electron microscopy and spectroscopic techniques. Benefiting from the synergistic effect of trimetallic single atoms, nitrogen, and carbon, ZnCoFe-N-C exhibits excellent catalytic performance in bifunctional oxygen reduction/evolution reactions in an alkaline medium, outperforming other SACs and DACs. The ZnCoFe-N-C-based Zn-air battery exhibits a high specific capacity (liquid state: 931.8 Wh kgZn-1 ), power density (liquid state: 137.8 mW cm-2 ; all-solid-state: 107.9 mW cm-2 ), and good cycling stability. Furthermore, density-functional theory calculations rationalize the excellent performance by demonstrating that the ZnCoFe-N-C catalyst has upshifted d-band center that enhances the adsorption of the reaction intermediates.
科研通智能强力驱动
Strongly Powered by AbleSci AI