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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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Journal ArticleDOI

Boosting Electrocatalytic Activity of 3d-Block Metal (Hydro)oxides by Ligand-Induced Conversion.

TL;DR: In this article, the authors proposed a ligand-induced conversion strategy for 3D transition metal (hydro)oxides, including NiFe2 O4, NiCo2 O 4, and NiZn LDH, to further boost their electrocatalytic activities.
Journal ArticleDOI

Surface Acidity as Descriptor of Catalytic Activity for Oxygen Evolution Reaction in Li-O2 Battery

TL;DR: The rational design of catalysts with greater activity for charging reactions of Li-O2 battery is enabled by the first-principles calculations based on interfacial model to study the oxygen evolution reaction mechanism of Li2O2 supported on active surfaces of transition-metal compounds.
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(La1−xSrx)0.98MnO3 perovskite with A-site deficiencies toward oxygen reduction reaction in aluminum-air batteries

TL;DR: In this paper, the performance of strontium doped Mn-based perovskites with A-site deficiencies was investigated by a modified solid-liquid method, and the structure, morphology, valence state and oxygen adsorption behaviors of these LSM samples were characterized, and their catalytic activities toward ORR were studied by the rotating ring-disk electrode (RRDE) and aluminum-air battery technologies.
Journal ArticleDOI

Construction of hierarchically porous graphitized carbon-supported NiFe layered double hydroxides with a core-shell structure as an enhanced electrocatalyst for the oxygen evolution reaction

TL;DR: The construction of hierarchically porous graphitized carbon (HPGC) supported NiFe layered double hydroxides (LDHs) with a core-shell structure (denoted as HPGC@NiFe) by a facile strategy implies the possibility for the development of low-cost layered doublehydroxides as a promising candidate in electrochemical energy storage and conversion equipment.
Journal ArticleDOI

Effect of doping on the performance of high-crystalline SrMnO3 perovskite nanofibers as a supercapacitor electrode

TL;DR: In this article, high-crystalline perovskite oxide nanofibers have been successfully synthesized by sol-gel electrospinning followed by calcination at different temperatures, using polyvinylpyrrolidone as a sacrificial polymeric binder.
References
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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.
Journal ArticleDOI

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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