过电位
材料科学
双功能
析氧
电催化剂
阴极
化学工程
催化作用
碳纤维
双功能催化剂
钻石
纳米技术
电极
复合数
物理化学
电化学
复合材料
化学
有机化学
工程类
作者
Chuyan Zhang,Nan Huang,Zhaofeng Zhai,Lusheng Liu,Bin Chen,Yang Bing,Xin Jiang,Nianjun Yang
标识
DOI:10.1002/aenm.202301749
摘要
Abstract Rational design of heterogeneous catalysts with unique structural and electronic properties is one of the major challenges to improve the activity toward the reversible oxygen reduction reaction (ORR) and oxygen evolution reaction (OER), the bottleneck in the construction of air cathodes for the next‐generation flexible zinc–air batteries (ZABs). Herein, density functional theory calculations are combined with experimental attempts to exploit the roles of the electronic effects at the interface between Co 4 N nanoparticles and nitrogen‐doped carbon nanowalls/diamond (d‐NCNWs/D) toward the ORR and OER activities. The vacancy defect‐induced Co‐pyridinic N─C bond optimizes the electronic structure of Co 3d orbitals and balances the adsorption energies of intermediates along the reaction pathways. Consequently, as‐synthesized Co 4 N@d‐NCNWs/D composites exhibit superior bifunctional oxygen catalytic activity. The overpotential of the OER is as low as 340 mV at 10 mA cm −2 and the high half‐wave potential reaches 0.83 V for the ORR. As a binder‐free and flexible ZABs cathode, this composite exhibits an open circuit voltage of 1.41 V and excellent bendable stability, proving its promising potential for the assembly of wearable devices. This work offers theoretical evidence and a controllable strategy to design high‐performance ZAB cathodes for their application in smart electronic devices.
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