Developing high-performance bifunctional catalysts for zinc-air batteries by utilizing Ca to modify the electronic structure of Fe

Journal of Colloid and Interface Science, Год журнала: 2025, Номер unknown, С. 137472 - 137472

Опубликована: Март 1, 2025

Язык: Английский

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Optimizing Electron Delocalization in Cobalt Clusters via d‐d Orbital Coupling for Efficient Bifunctional Oxygen Electrocatalysis

Advanced Functional Materials, Год журнала: 2025, Номер unknown

Опубликована: Апрель 14, 2025

Abstract Cobalt atom cluster (Co AC )‐based electrocatalysts usually exhibit high activity for oxygen reduction reaction (ORR), but display limited performance in evolution (OER). To enhance their bifunctional catalytic efficiency, it is crucial to tailor the d ‐orbital electronic structure of Co through orbital coupling effect, optimizing chemisorption O‐intermediates. Herein, a 3 ‐4 strategy used construct ‐molybdenum carbide/nanocarbon cake ‐Mo x C/CC) catalyst with hollow ORR/OER zinc‐air batteries (ZABs). Experimental and theoretical results confirm that 4 transition metal Mo, fewer electrons more unfilled orbitals, interacts strongly sites ‐ coupling, promoting electron enrichment triggering delocalization. This process accelerates rate‐limiting steps *OH desorption ORR *OOH formation OER, leading an ultra‐low potential gap 0.604 V improved stability. Notably, C/CC‐based liquid flexible all‐solid‐state ZABs excellent open‐circuit voltages 1.49 1.47 V, power densities 146.4 103.4 mW cm −2 , respectively, highlighting replace precious catalysts. study may open new avenues manipulating properties ‐based boosting strategy.

Язык: Английский

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Synergistic hybridization between third-period and fifth-period transition metal orbitals in entropy-stabilized layered double hydroxides for long-term oxygen evolution catalysis

Journal of Colloid and Interface Science, Год журнала: 2025, Номер 693, С. 137641 - 137641

Опубликована: Апрель 17, 2025

Язык: Английский

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High entropy design endows spinel compounds with excellent bifunctional catalysis for hydrogen production from water electrolysis

International Journal of Hydrogen Energy, Год журнала: 2025, Номер 130, С. 644 - 653

Опубликована: Май 1, 2025

Язык: Английский

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d–p orbitals hybridization triggered electron pumping in Fe–O–Mo bridged structure for efficient water electrolysis

Chemical Engineering Journal, Год журнала: 2025, Номер unknown, С. 163603 - 163603

Опубликована: Май 1, 2025

Язык: Английский

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Mechanistic insight into sp-hybridized carbon-induced dual electronic ‘push effect’ in Pt/graphdiyne/graphene for boosting oxidase-like activity

Journal of Colloid and Interface Science, Год журнала: 2025, Номер 696, С. 137852 - 137852

Опубликована: Май 10, 2025

Язык: Английский

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A Novel 'Absorption-Migration' OER Mechanism and Chloride Repulsion Effect in High-Entropy (FeCoNiCuMn)2O3 Nanoparticles on Ti3C2Tx MXene for Efficient Saline Water Electrolysis

Applied Catalysis B Environment and Energy, Год журнала: 2025, Номер unknown, С. 125494 - 125494

Опубликована: Май 1, 2025

Язык: Английский

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Designing Quenching-Driven Crystalline-Amorphous High-Entropy Oxide/Hydroxide Heterostructures for Efficient Oxygen Evolution Reaction

Journal of Alloys and Compounds, Год журнала: 2025, Номер unknown, С. 181112 - 181112

Опубликована: Май 1, 2025

Язык: Английский

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Orbital-level band gap engineering of RuO2 for enhanced acidic water oxidation

Nature Communications, Год журнала: 2025, Номер 16(1)

Опубликована: Май 24, 2025

Developing efficient and stable oxygen evolution reaction electrocatalysts under acidic conditions is crucial for advancing proton-exchange membrane water electrolysers commercialization. Here, we develop a representative strategy through p-orbital atoms (N, P, S, Se) doping in RuO2 to precisely regulate the lattice oxygen-mediated mechanism-oxygen vacancy site mechanism pathway. In situ ex measurements along with theoretical calculations demonstrate that Se dynamically adjusts band gap between Ru-eg O-p orbitals during process. This modulation accelerates electron diffusion external circuit, promotes process, enhances catalytic activity. Additionally, it facilitates feedback stabilizes vacancies, thereby promoting process enhancing stability. The resulting Se-RuOx catalyst achieves performance industrial minimal charge overpotential of 1.67 V achieve current density 1 A cm-2 maintain long-term cyclability over 1000 h. work presents unique method guiding future development high-performance metal oxide catalysts.

Язык: Английский

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Engineering Orbital Hybridization in Advanced Electrocatalysts for Energy Conversion: Fundamentals, Modulations, and Perspectives

Advanced Energy Materials, Год журнала: 2025, Номер unknown

Опубликована: Апрель 15, 2025

Abstract Catalytic coordinates are essentially the dynamic interactions of frontier orbitals when interacting with electrocatalysts and adsorbates under optimal reaction conditions. Flexible modifications in orbital hybridization enable intrinsic control over both thermodynamics kinetics electrochemical reactions. However, systematic depictions this phenomenon electrocatalysis currently lacking, despite being extremely important. In tutorial review, a comprehensive interpretation involved catalyst system its role is provided. This review starts fundamentals hybridization, covering basic theories (valence bond theory, hybrid orbit molecular theory), classifications (binary‐ multi‐orbital interactions), descriptors (such as overlap degree, energy level matching, Fermi level). It further introduces key roles manipulating activity, selectivity, stability electrocatalysts, well extending device lifespan. Recent advances tuning for enhanced reactions (e.g., HER, OER, ORR, NRR, CO 2 RR) through various strategies (external field modulation, electronic structure geometric coordination microenvironment regulation). Challenges perspectives future research related to discussed at end.

Язык: Английский

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