Structural, magnetic and catalytic properties of a new vacancy ordered perovskite type barium cobaltate BaCoO2.67

Aamir Iqbal Waidha, Humera Khatoon Siddiqi, Yuji Ikeda, Maren Lepple, Sami Vasala, Manuel Donzelli, A D Fortes, Peter Slater, Blazej Grabowski, Ulrike I Kramm, Oliver Clemens

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Abstract

A new vacancy ordered, anion deficient perovskite modification with composition of BaCoO2.67(Ba3Co3O8􀀀1) has been prepared via a two-step heating process. Combined Rietveld analysis of neutron and X-ray powder diffraction data shows a novel ordering of oxygen vacancies not known before for barium cobaltates. A combination of neutron powder diffraction, magnetic measurements, and density functional theory (DFT) studies confirms G-type antiferromagnetic ordering. From impedance measurements, the electronic conductivity of the order of 10-4 S cm-1 is determined. Remarkably, the bifunctional catalytic activity for oxygen evolution reaction (OER)and oxygen reduction reaction (ORR) is found to be comparable to that of Ba0.5Sr0.5Co0.8Fe0.2O3–y, confirming that charge-ordered anion deficient non-cubic perovskites can be highly efficient catalysts.
Original languageEnglish
Pages (from-to)9763-9767
JournalChemistry: A European Journal
Volume27
Issue number38
Early online date28 Apr 2021
DOIs
Publication statusE-pub ahead of print - 28 Apr 2021

Keywords

  • Neutron diffraction
  • Perovskite
  • ab initio calculations
  • bifunctional catalyst
  • magnetism

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