A perovskite oxide optimized for oxygen evolution catalysis from molecular orbital principles

Jin Suntivich; Kevin J. May; Hubert A. Gasteiger; John B. Goodenough; Yang Shao-Horn

doi:10.1126/science.1212858

A perovskite oxide optimized for oxygen evolution catalysis from molecular orbital principles

Jin Suntivich, Kevin J. May, Hubert A. Gasteiger, John B. Goodenough, Yang Shao-Horn

Chair of Technical Electrochemistry

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Abstract

The efficiency of many energy storage technologies, such as rechargeable metal-air batteries and hydrogen production from water splitting, is limited by the slow kinetics of the oxygen evolution reaction (OER). We found that Ba _0.5Sr_0.5Co_0.8Fe_0.2O _3-δ (BSCF) catalyzes the OER with intrinsic activity that is at least an order of magnitude higher than that of the state-of-the-art iridium oxide catalyst in alkaline media. The high activity of BSCF was predicted from a design principle established by systematic examination of more than 10 transition metal oxides, which showed that the intrinsic OER activity exhibits a volcano-shaped dependence on the occupancy of the 3d electron with an e _g symmetry of surface transition metal cations in an oxide. The peak OER activity was predicted to be at an e_g occupancy close to unity, with high covalency of transition metal-oxygen bonds.

Original language	English
Pages (from-to)	1383-1385
Number of pages	3
Journal	Science
Volume	334
Issue number	6061
DOIs	https://doi.org/10.1126/science.1212858
State	Published - 9 Dec 2011

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title = "A perovskite oxide optimized for oxygen evolution catalysis from molecular orbital principles",

abstract = "The efficiency of many energy storage technologies, such as rechargeable metal-air batteries and hydrogen production from water splitting, is limited by the slow kinetics of the oxygen evolution reaction (OER). We found that Ba 0.5Sr0.5Co0.8Fe0.2O 3-δ (BSCF) catalyzes the OER with intrinsic activity that is at least an order of magnitude higher than that of the state-of-the-art iridium oxide catalyst in alkaline media. The high activity of BSCF was predicted from a design principle established by systematic examination of more than 10 transition metal oxides, which showed that the intrinsic OER activity exhibits a volcano-shaped dependence on the occupancy of the 3d electron with an e g symmetry of surface transition metal cations in an oxide. The peak OER activity was predicted to be at an eg occupancy close to unity, with high covalency of transition metal-oxygen bonds.",

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T1 - A perovskite oxide optimized for oxygen evolution catalysis from molecular orbital principles

AU - Suntivich, Jin

AU - May, Kevin J.

AU - Gasteiger, Hubert A.

AU - Goodenough, John B.

AU - Shao-Horn, Yang

PY - 2011/12/9

Y1 - 2011/12/9

N2 - The efficiency of many energy storage technologies, such as rechargeable metal-air batteries and hydrogen production from water splitting, is limited by the slow kinetics of the oxygen evolution reaction (OER). We found that Ba 0.5Sr0.5Co0.8Fe0.2O 3-δ (BSCF) catalyzes the OER with intrinsic activity that is at least an order of magnitude higher than that of the state-of-the-art iridium oxide catalyst in alkaline media. The high activity of BSCF was predicted from a design principle established by systematic examination of more than 10 transition metal oxides, which showed that the intrinsic OER activity exhibits a volcano-shaped dependence on the occupancy of the 3d electron with an e g symmetry of surface transition metal cations in an oxide. The peak OER activity was predicted to be at an eg occupancy close to unity, with high covalency of transition metal-oxygen bonds.

AB - The efficiency of many energy storage technologies, such as rechargeable metal-air batteries and hydrogen production from water splitting, is limited by the slow kinetics of the oxygen evolution reaction (OER). We found that Ba 0.5Sr0.5Co0.8Fe0.2O 3-δ (BSCF) catalyzes the OER with intrinsic activity that is at least an order of magnitude higher than that of the state-of-the-art iridium oxide catalyst in alkaline media. The high activity of BSCF was predicted from a design principle established by systematic examination of more than 10 transition metal oxides, which showed that the intrinsic OER activity exhibits a volcano-shaped dependence on the occupancy of the 3d electron with an e g symmetry of surface transition metal cations in an oxide. The peak OER activity was predicted to be at an eg occupancy close to unity, with high covalency of transition metal-oxygen bonds.

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A perovskite oxide optimized for oxygen evolution catalysis from molecular orbital principles

Abstract

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