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

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TLDR
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 eg symmetry of surface transition metal cations in an oxide.
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 0.5 Sr 0.5 Co 0.8 Fe 0.2 O 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.

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Citations
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Janus Co/CoP Nanoparticles as Efficient Mott–Schottky Electrocatalysts for Overall Water Splitting in Wide pH Range

TL;DR: In this article, a controllable vacuum-diffusion method for gradual phosphidation of carbon coated metallic Co nanoparticles into Co/CoP Janus nanoparticles is reported, which exhibits excellent hydrogen evolution reaction and oxygen evolution reaction performance in various electrolytes across wide pH range along with high durability.
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Guidelines for the Rational Design of Ni-Based Double Hydroxide Electrocatalysts for the Oxygen Evolution Reaction

TL;DR: In this paper, the authors provided a thorough characterization of Ni-based double hydroxides with Cr, Mn, Fe, Co, Cu, and Zn at the atomic scale and provided simple design principles for the enhancement of their electrocatalytic properties.
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The importance of nickel oxyhydroxide deprotonation on its activity towards electrochemical water oxidation

TL;DR: The OER activity of NiOOH enhances at pH > 11 due to formation of superoxo-like species on its surface.
Journal ArticleDOI

Electrocatalysts for the generation of hydrogen, oxygen and synthesis gas

TL;DR: A brief overview on the effect of the nature and structure of the catalyst-electrode materials on the electrolyzer's performance can be found in this article, where past findings and recent progress in the development of efficient anode and cathode materials appropriate for large-scale water electrolysis are presented.
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Orientation-Dependent Oxygen Evolution Activities of Rutile IrO2 and RuO2

TL;DR: The surface of IrO2 and RuO2 is more active in alkaline environments than the most thermodynamically stable surface, and the OER activity was correlated with the density of coordinatively undersaturated metal sites of each crystallographic facet.
References
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Journal ArticleDOI

Building better batteries

TL;DR: Researchers must find a sustainable way of providing the power their modern lifestyles demand to ensure the continued existence of clean energy sources.
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Powering the planet: Chemical challenges in solar energy utilization

TL;DR: Solar energy is by far the largest exploitable resource, providing more energy in 1 hour to the earth than all of the energy consumed by humans in an entire year, and if solar energy is to be a major primary energy source, it must be stored and dispatched on demand to the end user.
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Activity benchmarks and requirements for Pt, Pt-alloy, and non-Pt oxygen reduction catalysts for PEMFCs

TL;DR: In this article, the authors quantified the activities and voltage loss modes for state-of-the-art MEAs (membrane electrode assemblies), specifies performance goals needed for automotive application, and provides benchmark oxygen reduction activities for state of the art platinum electrocatalysts.
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Improved Oxygen Reduction Activity on Pt3Ni(111) via Increased Surface Site Availability

TL;DR: It is demonstrated that the Pt3Ni( 111) surface is 10-fold more active for the ORR than the corresponding Pt(111) surface and 90-foldMore active than the current state-of-the-art Pt/C catalysts for PEMFC.
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In Situ Formation of an Oxygen-Evolving Catalyst in Neutral Water Containing Phosphate and Co2+

TL;DR: A catalyst that forms upon the oxidative polarization of an inert indium tin oxide electrode in phosphate-buffered water containing cobalt (II) ions is reported that not only forms in situ from earth-abundant materials but also operates in neutral water under ambient conditions.
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