Conventional versus Unconventional Oxygen Reduction Reaction Intermediates on Single Atom Catalysts

ACS Applied Materials & Interfaces, Год журнала: 2025, Номер unknown

Опубликована: Янв. 15, 2025

The oxygen reduction reaction (ORR) stands as a pivotal process in electrochemistry, finding applications various energy conversion technologies such fuel cells, metal-air batteries, and chlor-alkali electrolyzers. Hereby, comprehensive density functional theory (DFT) investigation is presented into the proposed conventional unconventional ORR mechanisms using single-atom catalysts (SACs) supported on nitrogen-doped graphene (NG) model systems. Several intermediates have been identified that appear to be more stable than ones postulated mechanism, which follows *OOH, *O, *OH intermediates. This particularly holds for adsorbed *O2, can different adsorption geometries, ranging from η1Ο2 or η2Ο2 superoxo complexes well sin anti complexes, with two O-related ligands binding same opposite sides, respectively. In case of M@NG (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Pt), these *O2 intermediates, whereas Cr@NG Cu@NG classical compete. We approximate electrocatalytic activity concept thermodynamic overpotential demonstrate mechanism gives rise smaller compared following during four proton-coupled electron transfer steps. Our trend study indicates transition metals fewer d electrons reveal due larger overpotential. Among investigated SAC systems, Co emerges promising candidate, limiting potential values 0.38 0.85 V vs standard hydrogen electrode, respectively, being favored, Cu appearing second-best candidate.

Язык: Английский

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The novel application in zinc-air battery of imidazole-based ligand templated borates

Chemical Communications, Год журнала: 2024, Номер 60(34), С. 4561 - 4564

Опубликована: Янв. 1, 2024

Two imidazole-based ligand-templated borates have been synthesized, which exhibit excellent ORR properties with an E 1/2 value of 0.84 V and can be well applied in zinc–air batteries.

Язык: Английский

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Utility of MXenes for Catalysis, Electrocatalysis, and Fuel Cells

Clean Energy Production Technologies, Год журнала: 2025, Номер unknown, С. 209 - 232

Опубликована: Янв. 1, 2025

Язык: Английский

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Ionic-liquid-engineered, interfacial π–π-anchored, cobalt-dispersed, and N-, F-, B-doped carbon matrix as an oxygen electrocatalyst for advanced zinc–air batteries

Journal of Materials Chemistry A, Год журнала: 2025, Номер unknown

Опубликована: Янв. 1, 2025

An advanced catalyst drives innovation in zinc–air battery technology, delivering exceptional performance, stability, and efficiency with successfully powering a mobile phone.

Язык: Английский

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Sustainable Fe3C/Fe-Nx-C Cathode Catalyst from Biomass for an Oxygen Reduction Reaction in Alkaline Electrolytes and Zinc–Air Battery Application

Inorganics, Год журнала: 2025, Номер 13(5), С. 143 - 143

Опубликована: Апрель 30, 2025

Realistic applications of zinc–air batteries are hindered by the high cost Pt/C cathode catalysts, necessitating search for alternative, sustainable electrocatalysts. In this work, we developed a Fe3C/Fe-Nx-C catalyst from waste coffee biomass an oxygen reduction reaction (ORR) in alkaline electrolytes and battery applications. The was synthesized via mechanochemical synthesis strategy using melamine EDTA–Fe chelate complex, followed pyrolysis at 900 °C. obtained evaluated detailed ORR activity stability. results show that displayed excellent with E1/2 0.93 V vs. RHE, Tafel slope 68 mV dec−1, 3.95 e− transfer O2 molecule, ECSA values. addition, exhibited stability loss 75 10,000 potential cycles, ~14% relative currents chronoamperometric test. When applied as battery, delivered power density 81 mW cm−2 admirable electrochemical under galvanostatic discharge conditions. Furthermore, practical application demonstrated panel LEDs illuminated dual-cell connected series, clearly validating practically catalysts use various energy storage electronic devices.

Язык: Английский

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Synthesis, structure, and oxygen reduction reaction activity of 1-isopropylimidazole and 1-propylimidazole ligand-nickel borate crystals

Polyhedron, Год журнала: 2024, Номер 260, С. 117079 - 117079

Опубликована: Июнь 3, 2024

Язык: Английский

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