Advanced Powder Materials (Jul 2022)

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

Journal volume & issue
Vol. 1, no. 3
p. 100027

Abstract

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CoPS nanoparticles encapsulated with S, P, N tri-doped carbon material (SPNC) were proposed as bifunctional electrocatalyst of oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) derived from zeolitic imidazolate framework-67. Density functional theory calculations consistently revealed that P element in CoPS@SPNC improves the electrical conductivity and reduces OH∗ hydrogenation energy barrier on Co sites, thereby facilitating the overall ORR/OER activities. A flexible Zn–air battery with CoPS@SPNC delivered 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.

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