Advances in Oxygen Evolution Reaction Electrocatalysts via Direct Oxygen–Oxygen Radical Coupling Pathway

Advanced Materials, Год журнала: 2025, Номер unknown

Опубликована: Янв. 15, 2025

Abstract Oxygen evolution reaction (OER) is a cornerstone of various electrochemical energy conversion and storage systems, including water splitting, CO 2 /N reduction, reversible fuel cells, rechargeable metal‐air batteries. OER typically proceeds through three primary mechanisms: adsorbate mechanism (AEM), lattice oxygen oxidation (LOM), oxide path (OPM). Unlike AEM LOM, the OPM via direct oxygen–oxygen radical coupling that can bypass linear scaling relationships intermediates in avoid catalyst structural collapse thereby enabling enhanced catalytic activity stability. Despite its unique advantage, electrocatalysts drive remain nascent are increasingly recognized as critical. This review discusses recent advances OPM‐based electrocatalysts. It starts by analyzing mechanisms guide design Then, several types novel materials, atomic ensembles, metal oxides, perovskite molecular complexes, highlighted. Afterward, operando characterization techniques used to monitor dynamic active sites examined. The concludes discussing research directions advance toward practical applications.

Язык: Английский

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Fluorine Doping‐Assisted Reconstruction of Isolated Cu Sites for CO₂ Electroreduction Toward Multicarbon Products

Advanced Materials, Год журнала: 2025, Номер unknown

Опубликована: Янв. 19, 2025

Abstract The electrocatalytic synthesis of multicarbon compounds from CO 2 is a promising method for storing renewable electricity and addressing global issues. Single‐atom catalysts are candidates reduction, but producing high‐value (C 2+ ) products using single‐atom structure remains significant challenge. In this study, fluorine doping strategy proposed to facilitate the reconstruction isolated Cu atoms, promoting generation. in situ formed nanocrystals contain substantial amount stable + species, demonstrating remarkable activity −to‐multicarbon conversion. Notably, they achieve highest utilization, with C partial current density −2.01 A mg per −1 formation rate 7.03 mmol h at ≈−1 V versus RHE. Raman spectroscopy functional theory calculations confirm crucial role atoms structural evolution electrolysis.

Язык: Английский

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Modulating the Electronic Properties of Single Ni Atom Catalyst via First‐Shell Coordination Engineering to Boost Electrocatalytic Flue Gas CO₂ Reduction

Advanced Functional Materials, Год журнала: 2025, Номер unknown

Опубликована: Янв. 10, 2025

Abstract Electrochemical converting CO 2 to via single atom catalyst is an effective strategy for reducing concentration in the atmosphere and achieving a carbon‐neutral cycle. However, relatively low industrial processes large energy barriers activating severely obstruct actual application. Reasonably modulating coordination shell of active center enhance activity catalysts. Herein, well‐designed single‐atom electrocatalyst Ni‐N 3 S 1 developed large‐scale synthesis strategy. The constructed S‐C exhibits superior catalytic than 4 ‐C conversion H‐type cells, industrial‐level current density with excellent durability at wide pH range can be achieved gas‐diffusion flow cells. Experimental results functional theory (DFT) calculation demonstrate that introducing electronegative significantly regulate electronic structure site, promoting adsorption capacity decreasing barrier *COOH formation, thus larger size flexibility sulfur mitigate nickel agglomeration stability catalyst. This work provides designing highly catalysts electrocatalysis reactive sites.

Язык: Английский

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AI in single-atom catalysts: a review of design and applications

Journal of Materials Informatics, Год журнала: 2025, Номер 5(1)

Опубликована: Фев. 12, 2025

Single-atom catalysts (SACs) have emerged as a research frontier in catalytic materials, distinguished by their unique atom-level dispersion, which significantly enhances activity, selectivity, and stability. SACs demonstrate substantial promise electrocatalysis applications, such fuel cells, CO2 reduction, hydrogen production, due to ability maximize utilization of active sites. However, the development efficient stable involves intricate design screening processes. In this work, artificial intelligence (AI), particularly machine learning (ML) neural networks (NNs), offers powerful tools for accelerating discovery optimization SACs. This review systematically discusses application AI technologies through four key stages: (1) Density functional theory (DFT) ab initio molecular dynamics (AIMD) simulations: DFT AIMD are used investigate mechanisms, with high-throughput applications expanding accessible datasets; (2) Regression models: ML regression models identify features that influence performance, streamlining selection promising materials; (3) NNs: NNs expedite known structural models, facilitating rapid assessment potential; (4) Generative adversarial (GANs): GANs enable prediction novel high-performance tailored specific requirements. work provides comprehensive overview current status insights recommendations future advancements field.

Язык: Английский

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Boosting Oxygen Reduction Reaction Performance of Fe Single‐Atom Catalysts Via Precise Control of the Coordination Environment

Advanced Functional Materials, Год журнала: 2025, Номер unknown

Опубликована: Март 3, 2025

Abstract Fe single‐atom on N‐doped carbon (FeN‐C) catalysts emerge as promising alternatives to commercial Pt/C for the oxygen reduction reaction. Heterogeneous atom doping is proposed be effective modulating catalyst performance. Despite this, relationship between fine coordination structure of doped atoms and catalytic activity central metal site remains poorly understood. Herein, with S in either first shell (FeSN–C) or second (FeN–SC) active are synthesized compare effects different structure. FeN–SC exhibits prominent performance a half‐wave potential 0.92 V rotating disk electrode peak power density 251 mW cm −2 zinc–air battery. Theoretical studies reveal that effectively modulates electronic charge transfer at center. Compared directly coordinated within shell, located more optimizing adsorption desorption energy barriers oxygen‐containing intermediates sites. This study provides new strategy adjust by engineering multilayer center catalyst.

Язык: Английский

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Metal‐Based Oxygen Reduction Electrocatalysts for Efficient Hydrogen Peroxide Production

Advanced Materials, Год журнала: 2024, Номер unknown

Опубликована: Окт. 24, 2024

Abstract Hydrogen peroxide (H 2 O ) is a high‐value chemical widely used in electronics, textiles, paper bleaching, medical disinfection, and wastewater treatment. Traditional production methods, such as the anthraquinone oxidation process direct synthesis, require high energy consumption, involve risks from toxic substances explosions. Researchers are now exploring photochemical, electrochemical, photoelectrochemical synthesis methods to reduce use pollution. This review focuses on 2‐electron oxygen reduction reaction (2e − ORR) for electrochemical of H 2, discusses how catalyst active sites influence adsorption. Strategies enhance selectivity by regulating these presented. Catalysts strong adsorption initiate reactions weak *OOH promote formation. The also covers advances single‐atom catalysts (SACs), multi‐metal‐based catalysts, highlights non‐noble metal oxides, especially perovskite their versatile structures potential 2e ORR. localized surface plasmon resonance (LSPR) effects performance discussed. In conclusion, emphasis placed optimizing through theoretical experimental achieve efficient selective production, aiming sustainable commercial applications.

Язык: Английский

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Atomically dispersed rare earth dysprosium-nitrogen-carbon for boosting oxygen reduction reaction

Journal of Colloid and Interface Science, Год журнала: 2025, Номер 684, С. 87 - 96

Опубликована: Янв. 6, 2025

Язык: Английский

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Transition metal single-atom catalysts for water splitting: Unravelling coordination strategies and catalytic mechanisms for sustainable hydrogen generation

Next Materials, Год журнала: 2025, Номер 6, С. 100491 - 100491

Опубликована: Янв. 1, 2025

Язык: Английский

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Thermodynamically driven reconstruction of a block metal–organic framework into a sea-urchin-like metal–organic framework superstructure and derivation of Co N C nanofiber catalyst for oxygen reduction reaction

Journal of Colloid and Interface Science, Год журнала: 2025, Номер 687, С. 830 - 841

Опубликована: Фев. 18, 2025

Язык: Английский

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Deactivation Mechanism and Mitigation Strategies of Single‐Atom Site Electrocatalysts

Advanced Materials, Год журнала: 2025, Номер unknown

Опубликована: Апрель 14, 2025

Abstract Single‐atom site electrocatalysts (SACs), with maximum atom efficiency, fine‐tuned coordination structure, and exceptional reactivity toward catalysis, energy, environmental purification, have become the emerging frontier in recent decade. Along significant breakthroughs activity selectivity, limited stability durability of SACs are often underemphasized, posing a grand challenge meeting practical requirements. One pivotal obstacle to construction highly stable is heavy reliance on empirical rather than rational design methods. A comprehensive review urgently needed offer concise overview progress stability/durability, encompassing both deactivation mechanism mitigation strategies. Herein, this first critically summarizes degradation induction factors at atomic‐, meso‐ nanoscale, mainly based but not oxygen reduction reaction. Subsequently, potential stability/durability improvement strategies by tuning catalyst composition, morphology surface delineated, including robust substrate metal‐support interaction, optimization active stability, fabrication porosity modification. Finally, challenges prospects for discussed. This facilitates fundamental understanding provides efficient principles aimed overcoming difficulties beyond.

Язык: Английский

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