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
Article number100027
JournalAdvanced Powder Materials
Issue number3
Early online date23 Dec 2021
Publication statusPublished - Jul 2022

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