Dual-Sites Coordination Engineering of Single Atom Catalysts for Full-Temperature Adaptive Flexible Ultralong-Life Solid-State Zn-Air Batteries

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

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  • Tengteng Gu
  • Dantong Zhang
  • Yan Yang
  • Chao Peng
  • Dongfeng Xue
  • Min Zhu
  • Jun Liu


Original languageEnglish
Article number2212299
Journal / PublicationAdvanced Functional Materials
Online published14 Dec 2022
Publication statusOnline published - 14 Dec 2022


High-performance rechargeable Zn-air batteries with long-life stability are desirable for power applications in electric vehicles. The key component of the Zn-air batteries is the bifunctional oxygen electrocatalyst, however, designing a bifunctional oxygen electrocatalyst with high intrinsic reversibility and durability is a challenge. Through density functional theory calculations, it is found that the catalytic activity originated from the electronic and geometric coordination structures synergistic effect of the Fe and Co dual-sites with metal-N4 coordination environment, assisting the stronger hybridization of electronic orbitals between Co (dxz, dz2) and OO* (px, pz), thus making the stronger O2 active ability of Co active site. These findings enable to development of a fancy dual single-atom catalyst comprising adjacent Fe-N4 and Co-N4 sites on N-doped carbon matrix (FeCo-NC). FeCo-NC exhibits extraordinary bifunctional activities for oxygen reduction and evolution reaction (ORR/OER), which displays high half-wave potential (0.893 V) for the ORR, and low overpotential (343 mV) at 10 mA cm−2 for the OER. The assembled FeCo-NC air-electrode works well in the flexible solid-state Zn-air battery with a high specific capacity of 747.0 mAh g−1, a long-time stability of more than 400 h (30 °C), and also a superior performance at extreme temperatures (−30 °C–60 °C).

Research Area(s)

  • coordination engineering, dual single-atom catalysts, flexible Zn-air battery, full-temperature range, oxygen evolution reaction, oxygen reduction reaction

Citation Format(s)