Built-in electric fields and extra electric fields in the oxygen evolution reaction

Journal of Materials Chemistry A, Journal Year: 2024, Volume and Issue: 12(29), P. 18047 - 18070

Published: Jan. 1, 2024

OER plays a crucial role in energy storage and conversion, the application of thermal fields is widespread but not systematically discussed. In this work, we have discussion on built-in electric field extra field.

Language: Английский

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Prediction of O and OH Adsorption on Transition Metal Oxide Surfaces from Bulk Descriptors

ACS Catalysis, Journal Year: 2024, Volume and Issue: 14(7), P. 5286 - 5296

Published: March 25, 2024

In the search for stable and active catalysts, density functional theory machine learning-based models can accelerate screening of materials. While stability is conveniently addressed on bulk level computation, modeling catalytic activity requires expensive surface simulations. this work, we develop adsorption energy O OH intermediates across a consistent extensive data set pure transition metal oxide surfaces. We show that energies oxidation states +2 to +6 are well captured from metal–oxygen bond strength extracted calculation. Specifically, calculate integrated crystal orbital Hamiltonian population (ICOHP) in employ simple normalization scheme obtain strong correlation with energetics. By combining our ICOHP descriptor non-DFT features Gaussian Process regression (GPR) model, achieve high model accuracy mean absolute errors 0.166 0.219 eV adsorption, respectively. targeting difference OH–OH GPR predict oxygen evolution reaction descriptors only. Furthermore, utilize between COHP lengths rapidly energetics optimized geometry. Our approach enable an efficient catalysts by eliminating need calculations initial phase.

Language: Английский

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Fabrication of Ru-doped CuMnBP micro cluster electrocatalyst with high efficiency and stability for electrochemical water splitting application at the industrial-level current density

Journal of Colloid and Interface Science, Journal Year: 2024, Volume and Issue: 677, P. 587 - 598

Published: Aug. 3, 2024

Language: Английский

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Progress and challenges of transition metal-based catalysts regulation for Li-CO2 batteries

Energy storage materials, Journal Year: 2025, Volume and Issue: unknown, P. 104047 - 104047

Published: Jan. 1, 2025

Language: Английский

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Manganese‐Based Metal‐Organic Frameworks and Their Derivatives for Electrochemical Water Splitting: Recent Advances and Future Outlook

Chemistry - An Asian Journal, Journal Year: 2025, Volume and Issue: unknown

Published: March 12, 2025

Abstract Metal‐organic frameworks (MOFs) and their derivatives have recently attracted significant interest as promising candidates in water splitting due to well‐defined structural electronic features, three‐dimensional architecture, high surface area, abundance of active sites, remarkable stability, improved capabilities for mass transport diffusion. Mn‐based MOFs been extensively studied demonstrated potential splitting, inspired largely by the natural photosystem‐II. Despite development numerous electrocatalysts, Mn‐MOFs stand out strong synergistic interactions, tunable properties, efficient charge transfer, straightforward synthesis. However, recent reviews on overlooked specific advancements water‐splitting applications. By providing an overview uses materials, this article seeks close that gap. It looks at porosity, structure well how they are used splitting. This study offers a deeper knowledge properties related materials drawing groundbreaking research. The link between structure, property, performance is examined, current subject discussed, difficulties faced addressed, future developments taken into account.

Language: Английский

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Tuning the surface states by in-situ Zr/Hf co-doping and MoO3 hole transport layer modification for boosting photoelectrochemical performance of hematite photoanode

Chemical Engineering Journal, Journal Year: 2023, Volume and Issue: 472, P. 144998 - 144998

Published: July 24, 2023

Language: Английский

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Development of biohybrid Ag2CrO4/rGO based nanocomposites with stable flotation properties as enhanced Photocatalyst for sewage treatment and antibiotic-conjugated for antibacterial evaluation

International Journal of Biological Macromolecules, Journal Year: 2023, Volume and Issue: 244, P. 125303 - 125303

Published: June 11, 2023

Language: Английский

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Advanced Electrocatalysts for the Oxygen Evolution Reaction: From Single- to Multielement Materials

Catalysts, Journal Year: 2023, Volume and Issue: 13(10), P. 1346 - 1346

Published: Oct. 5, 2023

The proton exchange membrane water electrolyzer (PEM-WE) is a well-known green technology for hydrogen production. main obstacle to its development, on large scale, the sluggish kinetics of oxygen evolution reaction (OER). At present, design acid-stable electrocatalysts with low overpotential and excellent stability OER constitutes an important activity in electrocatalysis. This review presents analysis fundamentals strategies advanced evolution, mechanisms, descriptors. scrutiny electrocatalysts, elemental composition from single- multielemental, are presented. In addition, purpose high-entropy alloys (HEAs), recent research strategy, materials summarized. Briefly, effect support materials, which beneficial modulating electronic properties catalysts, Finally, prospects development acidic given.

Language: Английский

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Rational design of one-dimensional cobalt-related oxygen electrocatalysts toward high-performance zinc-air batteries

Coordination Chemistry Reviews, Journal Year: 2023, Volume and Issue: 495, P. 215383 - 215383

Published: Aug. 19, 2023

Language: Английский

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Improving the efficiency of metal ions doped Fe2O3 nanoparticles: Photocatalyst for removal of organic dye from aqueous media

Chemosphere, Journal Year: 2023, Volume and Issue: 337, P. 139229 - 139229

Published: June 22, 2023

Language: Английский

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