Cobalt Phosphosulfide Nanoparticles Encapsulated into Heteroatom-Doped Carbon as Bifunctional Electrocatalyst for Zn-Air Battery

Xiaolong Xu, Shuo Wang, Shiquan Guo, Kwan San Hui, Jiameng Ma, Duc Anh Dinh, Kwun Nam Hui, Hao Wang, Lipeng Zhang, Guowei Zhou

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The design of non‐noble electrocatalysts with low overpotential, high effectiveness, and good cycling stability for oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) is highly desirable for high-performance Zn–air batteries. Herein, CoPS nanoparticles encapsulated with S, P, N tri-doped carbon material (SPNC) is proposed as bifunctional electrocatalyst of ORR and OER derived from zeolitic imidazolate framework-67. Density functional theory calculations consistently reveal that P element in CoPS@SPNC improve the electrical conductivity and reduce OH* hydrogenation energy barrier on Co sites, thereby facilitating the overall ORR/OER activities. A flexible Zn–air battery with CoPS@SPNC delivers an overpotential of 0.49 V, an energy efficiency above 80%, and a discharge voltage of 1.29 V at 2 mA cm−2 for 80 h. Such strategy could provide numerous possibilities for the design of highly efficient electrocatalysts.
Original languageEnglish
JournalAdvanced Powder Materials
Early online date23 Dec 2021
Publication statusE-pub ahead of print - 23 Dec 2021

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