Spin-state effect on the efficiency of a post-synthetic modification reaction on a spin crossover complex

Communications Chemistry, Journal Year: 2025, Volume and Issue: 8(1)

Published: Feb. 12, 2025

Language: Английский

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A Novel "Anchoring-Dispersing" Strategy to Prepare High Performance Coo@Fe-N-C Electrocatalyst for Orr, Oer, Her and Zinc-Air Battery

Published: Jan. 1, 2025

Language: Английский

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Single-atom dissolution at the MN4/MXene interface and electric field-driven adsorption mechanisms: Unraveling catalytic descriptors using machine learning

Applied Surface Science, Journal Year: 2025, Volume and Issue: unknown, P. 162886 - 162886

Published: March 1, 2025

Language: Английский

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Co-Fe3C nanoparticles encapsulated in N-doped carbon matrix carbon as bifunctional electrocatalyst for oxygen reaction and reversible zinc-air batteries

Journal of Alloys and Compounds, Journal Year: 2025, Volume and Issue: unknown, P. 179961 - 179961

Published: March 1, 2025

Language: 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, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 1, 2025

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

Language: Английский

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Morphology Control of Pt Nanoparticles Loaded with Nitrogen-Doped Reduced Graphene Oxide Induced by γ Rays for Oxygen Reduction Reaction

The Journal of Physical Chemistry C, Journal Year: 2025, Volume and Issue: unknown

Published: April 16, 2025

Language: Английский

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Transition metal-functionalized hexagonal bipyramidal boron clusters as high-performance electrocatalysts for hydrogen evolution reaction: A DFT study

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 127, P. 912 - 929

Published: April 19, 2025

Language: Английский

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Hexaminobenzene in conductive metal-organic frameworks as bifunctional electrocatalysts for overall water splitting and metal-air batteries

Journal of Power Sources, Journal Year: 2025, Volume and Issue: 644, P. 237126 - 237126

Published: April 23, 2025

Language: Английский

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Strain-controlled spin regulation in Fe–N–C catalysts for enhanced oxygen reduction reaction activity

Journal of Materials Chemistry A, Journal Year: 2024, Volume and Issue: 12(36), P. 24530 - 24541

Published: Jan. 1, 2024

We reveal the bonding mode between Fe–N–C catalytic center and ligand in ORR origin of spin multiplicity. The state can be regulated by strain to improve reaction activity.

Language: Английский

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Review of External Field Effects on Electrocatalysis: Machine Learning Guided Design

Advanced Functional Materials, Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 10, 2024

Abstract External field‐enhanced electrocatalysis is a novel and promising approach for boosting the efficiency of electrocatalytic reactions, potentially achieving significant enhancement without altering composition structure electrocatalysts. In addition, scaling relations typically lead to similar variations initial‐state transition‐state (TS) energy, which minimally impacts reaction energy barrier. A sophisticated design external field effects shall break these relations. This review provides comprehensive overview current research on effect mechanical, electric, magnetic fields electrocatalysis. It meticulously details mechanisms underlying activity based regulations, spanning from synthesis materials their behavior during process modulation electrolyte environment. Additionally, applications emerging machine learning (ML) technologies in design, including interatomic potentials (MLIPs) simulate large‐scale dynamic chemical processes, data‐driven optimization performance, are briefly reviewed. potential ML conjunction with regulation, envisioning them as effective tools optimizing or reverse designing electrocatalysis, considering both thermodynamic kinetic factors well electrocatalyst surfaces under extreme fields, highlighted.

Language: Английский

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