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

doi:10.1002/chem.202101167

Structural, magnetic and catalytic properties of a new vacancy ordered perovskite type barium cobaltate BaCoO_2.67

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

Research output: Contribution to journal › Article › peer-review

130 Downloads (Pure)

Abstract

A new vacancy ordered, anion deficient perovskite modification with composition of BaCoO_2.67(Ba₃Co₃O_8􀀀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^-1is determined. Remarkably, the bifunctional catalytic activity for oxygen evolution reaction (OER)and oxygen reduction reaction (ORR) is found to be comparable to that of Ba_0.5Sr_0.5Co_0.8Fe_0.2O3_–y, confirming that charge-ordered anion deficient non-cubic perovskites can be highly efficient catalysts.

Original language	English
Pages (from-to)	9763-9767
Journal	Chemistry: A European Journal
Volume	27
Issue number	38
Early online date	28 Apr 2021
DOIs	https://doi.org/10.1002/chem.202101167
Publication status	E-pub ahead of print - 28 Apr 2021

Keywords

Neutron diffraction
Perovskite
ab initio calculations
bifunctional catalyst
magnetism

Access to Document

10.1002/chem.202101167Licence: Creative Commons: Attribution (CC BY)

WaidhaAI2021StructuralFinal published version, 810 KBLicence: Creative Commons: Attribution (CC BY)

Cite this

Waidha, A. I., Siddiqi, H. K., Ikeda, Y., Lepple, M., Vasala, S., Donzelli, M., Fortes, A. D., Slater, P., Grabowski, B., Kramm, U. I., & Clemens, O. (2021). Structural, magnetic and catalytic properties of a new vacancy ordered perovskite type barium cobaltate BaCoO_2.67. Chemistry: A European Journal, 27(38), 9763-9767. Advance online publication. https://doi.org/10.1002/chem.202101167

@article{1d126dd35b264b8e8d24dd458a401664,

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

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.",

keywords = "Neutron diffraction, Perovskite, ab initio calculations, bifunctional catalyst, magnetism",

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

year = "2021",

month = apr,

day = "28",

doi = "10.1002/chem.202101167",

language = "English",

volume = "27",

pages = "9763--9767",

journal = "Chemistry: A European Journal",

issn = "0947-6539",

publisher = "Wiley-VCH Verlag",

number = "38",

}

TY - JOUR

T1 - Structural, magnetic and catalytic properties of a new vacancy ordered perovskite type barium cobaltate BaCoO2.67

AU - Waidha, Aamir Iqbal

AU - Siddiqi, Humera Khatoon

AU - Ikeda, Yuji

AU - Lepple, Maren

AU - Vasala, Sami

AU - Donzelli, Manuel

AU - Fortes, A D

AU - Slater, Peter

AU - Grabowski, Blazej

AU - Kramm, Ulrike I

AU - Clemens, Oliver

PY - 2021/4/28

Y1 - 2021/4/28

N2 - 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.

AB - 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.

KW - Neutron diffraction

KW - Perovskite

KW - ab initio calculations

KW - bifunctional catalyst

KW - magnetism

UR - http://www.scopus.com/inward/record.url?scp=85107356827&partnerID=8YFLogxK

U2 - 10.1002/chem.202101167

DO - 10.1002/chem.202101167

M3 - Article

C2 - 33908660

SN - 0947-6539

VL - 27

SP - 9763

EP - 9767

JO - Chemistry: A European Journal

JF - Chemistry: A European Journal

IS - 38

ER -