Benchmarking Hydrogen Evolving Reaction and Oxygen Evolving Reaction Electrocatalysts for Solar Water Splitting Devices

McCrory, Charles C. L.; Jung, Sangsu; Ferrer, Ivonne M.; Chatman, Shawn; Peters, Jonas C.; Jaramillo, Thomas F.

doi:10.1021/ja510442p

Cited by 3,443 publications

(3,121 citation statements)

References 112 publications

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“…The IrO 2 surface is unstable at basic conditions (the OER efficiency decays significantly after one hour) but recent studies 24,25 show that it remains stable at pH=0 over several hours. Therefore, we focus on the surface diagram of IrO 2 at pH=0 condition.…”

Section: Results and Discussion 31 Surface Diagram Of Iro 2 (110)mentioning

confidence: 99%

The Reaction Mechanism with Free Energy Barriers at Constant Potentials for the Oxygen Evolution Reaction at the IrO₂ (110) Surface

2016

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How to efficiently oxidize H 2 O to O 2 (Oxygen Evolution Reaction -OER) in photoelectrochemical cells (PEC) is a great challenge due to its complex charge transfer process, high overpotential, and corrosion. So far no OER mechanism has been fully explained atomistically with both thermodynamic and kinetics. IrO 2 is the only known OER catalyst with both high catalytic activity and stability in acidic conditions. This is important because PEC experiments often operate at extreme pH conditions. In this work we performed first principles calculations integrated with implicit solvation at constant potentials to examine the detailed atomistic reaction mechanism of OER at the IrO 2 (110) surface. We determined the surface phase diagram, explored the possible reaction pathways including kinetic barriers, and computed reaction rates based on the micro-kinetic models. This allowed us to resolve several long-standing puzzles about the atomistic OER mechanism.

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Section: Results and Discussion 31 Surface Diagram Of Iro 2 (110)mentioning

confidence: 99%

The Reaction Mechanism with Free Energy Barriers at Constant Potentials for the Oxygen Evolution Reaction at the IrO₂ (110) Surface

2016

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“…T herefore, the OERi sk inetically challenging, typically requires large overpotentials, and is considered one of the major roadblocksf or the storageo fr enewable energy in chemical fuels. [5,6,64,94,95] Precious-metal-basedc atalysts, such as RuO 2 and IrO 2 ,a re considered the benchmark for the OER;h owever,t heir high cost ands carcity limit their commercial viability. [94,95] The design of earth-abundant catalysts [a] BHT = benzenehexathiolate,T HT = triphenylene-2,3,6,7,10,11-hexathiolate,T HTA = mixed triphenylene-2,3,6,7,10,11-hexathiolate and triphenylene-2,3,6,7,10,11-hexamine.…”

Section: Oermentioning

confidence: 99%

Electrocatalytic Metal–Organic Frameworks for Energy Applications

2017

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With the global energy demand expected to increase drastically over the next several decades, the development of a sustainable energy system to meet this increase is paramount. Renewable energy sources can be coupled with electrochemical conversion processes to store energy in chemical bonds. To promote these difficult transformations, electrocatalysts that operate at high conversion rates and efficiency are required. Metal–organic frameworks (MOFs) have emerged as a promising class of materials; however, the insulating nature of MOFs has limited their application as electrocatalysts. The recent development of conductive MOFs has led to several electrocatalytic MOFs that display activity comparable to that of the best‐performing heterogeneous catalysts. Although many electrocatalytic MOFs exhibit low activity and stability, the few successful examples highlight the possibility of MOF electrocatalysts as replacements for noble‐metal‐based catalysts in commercial energy‐converting devices. We review herein the use of pristine MOFs as electrocatalysts to facilitate important energy‐related reactions.

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“…[6a, 13] However, strongly acidic or strongly basic electrolytes present significant stability challenges for the materials of the photoabsorbers and the electrocatalysts because most of the technologically relevant photoabsorber materials, including GaAs, InP, CdTe, and Si, are not stable, and there are few electrocatalyst materials that are stable, under such conditions. [30] Alternatively, significant efforts have been devoted to systems that utilize electrolytes with neutral or near-neutral pH values. [3a, 8a, 31] For operation at near-neutral pH values without membrane separators, STH conversion efficiency as high as 10 % has been realized by using a set of discrete photovoltaic cells connected in series with an electrolysis cell.…”

Section: Liquid Electrolytesmentioning

confidence: 99%

Modeling, Simulation, and Implementation of Solar‐Driven Water‐Splitting Devices

et al. 2016

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An integrated cell for the solar‐driven splitting of water consists of multiple functional components and couples various photoelectrochemical (PEC) processes at different length and time scales. The overall solar‐to‐hydrogen (STH) conversion efficiency of such a system depends on the performance and materials properties of the individual components as well as on the component integration, overall device architecture, and system operating conditions. This Review focuses on the modeling‐ and simulation‐guided development and implementation of solar‐driven water‐splitting prototypes from a holistic viewpoint that explores the various interplays between the components. The underlying physics and interactions at the cell level is are reviewed and discussed, followed by an overview of the use of the cell model to provide target properties of materials and guide the design of a range of traditional and unique device architectures.

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Benchmarking Hydrogen Evolving Reaction and Oxygen Evolving Reaction Electrocatalysts for Solar Water Splitting Devices

Cited by 3,443 publications

References 112 publications

The Reaction Mechanism with Free Energy Barriers at Constant Potentials for the Oxygen Evolution Reaction at the IrO₂ (110) Surface

The Reaction Mechanism with Free Energy Barriers at Constant Potentials for the Oxygen Evolution Reaction at the IrO₂ (110) Surface

Electrocatalytic Metal–Organic Frameworks for Energy Applications

Modeling, Simulation, and Implementation of Solar‐Driven Water‐Splitting Devices

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Benchmarking Hydrogen Evolving Reaction and Oxygen Evolving Reaction Electrocatalysts for Solar Water Splitting Devices

Cited by 3,443 publications

References 112 publications

The Reaction Mechanism with Free Energy Barriers at Constant Potentials for the Oxygen Evolution Reaction at the IrO2 (110) Surface

The Reaction Mechanism with Free Energy Barriers at Constant Potentials for the Oxygen Evolution Reaction at the IrO2 (110) Surface

Electrocatalytic Metal–Organic Frameworks for Energy Applications

Modeling, Simulation, and Implementation of Solar‐Driven Water‐Splitting Devices

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Product

Resources

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The Reaction Mechanism with Free Energy Barriers at Constant Potentials for the Oxygen Evolution Reaction at the IrO₂ (110) Surface

The Reaction Mechanism with Free Energy Barriers at Constant Potentials for the Oxygen Evolution Reaction at the IrO₂ (110) Surface