A review on fundamentals for designing oxygen evolution electrocatalysts

Chemical Society Reviews, Journal Year: 2020, Volume and Issue: 49(7), P. 2196 - 2214

Published: Jan. 1, 2020

The fundamentals related to the oxygen evolution reaction and catalyst design are summarized discussed.

Language: Английский

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Electrocatalytic Refinery for Sustainable Production of Fuels and Chemicals

Angewandte Chemie International Edition, Journal Year: 2021, Volume and Issue: 60(36), P. 19572 - 19590

Published: Feb. 19, 2021

Abstract Compared to modern fossil‐fuel‐based refineries, the emerging electrocatalytic refinery (e‐refinery) is a more sustainable and environmentally benign strategy convert renewable feedstocks energy sources into transportable fuels value‐added chemicals. A crucial step in conducting e‐refinery processes development of appropriate reactions optimal electrocatalysts for efficient cleavage formation chemical bonds. However, compared well‐studied primary (e.g., O 2 reduction, water splitting), mechanistic aspects materials design complex are yet be settled. To address this challenge, herein, we first present fundamentals heterogeneous electrocatalysis some reactions, then implement these establish framework by coupling situ generated intermediates (integrated reactions) or products (tandem reactions). We also set principles strategies efficiently manipulate reaction pathways.

Language: Английский

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Design concept for electrocatalysts

Nano Research, Journal Year: 2021, Volume and Issue: 15(3), P. 1730 - 1752

Published: Sept. 4, 2021

Language: Английский

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Fe-Based Electrocatalysts for Oxygen Evolution Reaction: Progress and Perspectives

ACS Catalysis, Journal Year: 2020, Volume and Issue: 10(7), P. 4019 - 4047

Published: Feb. 26, 2020

Electrocatalytic oxygen evolution reaction (OER) is a core responsible for converting renewable electricity into storable fuels; yet, it kinetically challenging, because of the complex proton-coupled multielectron transfer process. Transition-metal-based electrocatalysts, which provide possibility realization low-cost, high-activity, and stable OER in alkaline solution, therefore have attracted significant research interest recent years. A fundamental understanding composition–structure–activity relationships these electrocatalysts essential to guide design practical industrial applications. With more advanced ex situ techniques determine active sites, there has been increasing evidence revealing critical role Fe high performance Fe-containing transition metal-based electrocatalysts. Here, we present review progress OER, highlighting enhancing activity. We outline historical development summarize conflicting viewpoints on catalytic offer guidelines rigorous identification. The synthesis major challenges improving intrinsic activity stability are discussed. Finally, perspective regarding emerging issues yet be explored developing applications also provided.

Language: Английский

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Metallenes as functional materials in electrocatalysis

Chemical Society Reviews, Journal Year: 2021, Volume and Issue: 50(12), P. 6700 - 6719

Published: Jan. 1, 2021

2D metals, metallenes, feature exciting opportunities at the forefront of electrocatalysis. We bring to attention metallene preparation techniques and modification strategies for derivation highly functional metallenes in key electrocatalytic applications.

Language: Английский

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Metal‐Nitrogen‐Doped Carbon Materials as Highly Efficient Catalysts: Progress and Rational Design

Advanced Science, Journal Year: 2020, Volume and Issue: 7(15)

Published: June 23, 2020

Abstract As a typical class of single‐atom catalysts (SACs) possessing prominent advantages high reactivity, selectivity, stability, and maximized atomic utilization, emerging metal‐nitrogen‐doped carbon (M‐N‐C) materials, wherein dispersive metal atoms are coordinated to nitrogen doped in nanomaterials, have presented promise replace the conventional or oxides‐based catalysts. In this work, recent progress M‐N‐C‐based materials achieved both theoretical experimental investigations is summarized general principles for novel design from electronic structure modulating provided. Firstly, applications mechanisms on challenges variety sustainable fuel generation bioinspired reactions, including oxygen reduction reaction (ORR), evolution (OER), hydrogen (HER), dioxide (CO 2 RR), (NRR), nanozyme reactions reviewed. Then, strategies toward enhancing catalytic performance by engineering nature ion centers, coordinative environment active support, their synergistic cooperation, proposed. Finally, prospects rational next high‐performance outlined. It expected that work will provide insights into innovation environmental technologies.

Language: Английский

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Microkinetic Modeling: A Tool for Rational Catalyst Design

Chemical Reviews, Journal Year: 2020, Volume and Issue: 121(2), P. 1049 - 1076

Published: Nov. 18, 2020

The design of heterogeneous catalysts relies on understanding the fundamental surface kinetics that controls catalyst performance, and microkinetic modeling is a tool can help researcher in streamlining process design. Microkinetic used to identify critical reaction intermediates rate-determining elementary reactions, thereby providing vital information for designing an improved catalyst. In this review, we summarize general procedures developing models using parameters obtained from experimental data, theoretical correlations, quantum chemical calculations. We examine methods required ensure thermodynamic consistency model. describe parameter adjustments account heterogeneity inherent errors estimation. discuss analysis determine reactions degree rate control reversibility each reaction. introduce incorporation Brønsted–Evans–Polanyi relations scaling effects these catalytic performance formation volcano curves are discussed. review schemes terms maximum outline procedure kinetically significant transition states adsorbed intermediates. explore application generalized expressions prediction optimal binding energies important estimate extent potential improvement. also homogeneous catalysis, electro-catalysis, transient kinetics. conclude by highlighting challenges opportunities

Language: Английский

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Computational Methods in Heterogeneous Catalysis

Chemical Reviews, Journal Year: 2020, Volume and Issue: 121(2), P. 1007 - 1048

Published: Dec. 22, 2020

The unprecedented ability of computations to probe atomic-level details catalytic systems holds immense promise for the fundamentals-based bottom-up design novel heterogeneous catalysts, which are at heart chemical and energy sectors industry. Here, we critically analyze recent advances in computational catalysis. First, will survey progress electronic structure methods atomistic catalyst models employed, have enabled catalysis community build increasingly intricate, realistic, accurate active sites supported transition-metal catalysts. We then review developments microkinetic modeling, specifically mean-field kinetic Monte Carlo simulations, bridge gap between nanoscale insights macroscale experimental kinetics data with increasing fidelity. finally advancements theoretical accelerating discovery. Throughout review, provide ample examples applications, discuss remaining challenges, our outlook near future.

Language: Английский

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Tuning of lattice oxygen reactivity and scaling relation to construct better oxygen evolution electrocatalyst

Nature Communications, Journal Year: 2021, Volume and Issue: 12(1)

Published: June 28, 2021

Abstract Developing efficient and low-cost electrocatalysts for oxygen evolution reaction is crucial in realizing practical energy systems sustainable fuel production storage from renewable sources. However, the inherent linear scaling relation most catalytic materials imposes a theoretical overpotential ceiling, limiting development of electrocatalysts. Herein, using modeled Na x Mn 3 O 7 materials, we report an effective strategy to construct better electrocatalyst through tuning both lattice reactivity via alkali metal ion mediation. Specifically, number + linked with reactivity, which determined by hole lone-pair states formed native vacancies, governing barrier symmetry between O–H bond cleavage O–O formation. On other hand, presence could have specific noncovalent interaction pendant *OOH overcome limitation relation, reducing ceiling. Combining situ spectroscopy-based characterization first-principles calculations, demonstrate that intermediate level mediation (NaMn ) exhibits optimum activity. This work provides new rational recipe develop highly catalyst towards water oxidation or oxidative reactions relation.

Language: Английский

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Electrochemical Water Splitting: Bridging the Gaps Between Fundamental Research and Industrial Applications

Energy & environment materials, Journal Year: 2022, Volume and Issue: 6(5)

Published: May 28, 2022

Electrochemical water splitting represents one of the most promising technologies to produce green hydrogen, which can help realize goal achieving carbon neutrality. While substantial efforts on a laboratory scale have been made for understanding fundamental catalysis and developing high‐performance electrocatalysts two half‐reactions involved in electrocatalysis, much less attention has paid doing relevant research larger scale. For example, few such researches done an industrial Herein, we review very recent endeavors bridge gaps between applications electrolysis. We begin by introducing fundamentals electrochemical then present comparisons testing protocol, figure merit, catalyst interest, manufacturing cost industry‐based water‐electrolysis research. Special is tracking surface reconstruction process identifying real catalytic species under different conditions, highlight significant distinctions corresponding mechanisms. Advances designs industry‐relevant electrolysis are also summarized, reveal progress moving practical forward accelerating synergies material science engineering. Perspectives challenges electrocatalyst design strategies proposed finally further lab‐scale large‐scale electrocatalysis applications.

Language: Английский

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