Abstract
A new vacancy ordered, anion deficient perovskite modification with composition of BaCoO2.67(Ba3Co3O81) 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 language | English |
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Pages (from-to) | 9763-9767 |
Journal | Chemistry: A European Journal |
Volume | 27 |
Issue number | 38 |
Early online date | 28 Apr 2021 |
DOIs | |
Publication status | E-pub ahead of print - 28 Apr 2021 |
Keywords
- Neutron diffraction
- Perovskite
- ab initio calculations
- bifunctional catalyst
- magnetism