A catalytic perspective to nanomaterials reactivity-based toxicity; implications for single- and multiple-component nanomaterials (nanocomposites)

NanoImpact, Journal Year: 2025, Volume and Issue: unknown, P. 100542 - 100542

Published: Jan. 1, 2025

Language: Английский

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Progress in Computational Methods and Mechanistic Insights on the Growth of Carbon Nanotubes

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

Published: Jan. 1, 2025

Advancements in modern computational tools reveal key CNT growth mechanisms and pave the way for targeted synthesis scalable production.

Language: Английский

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First shell EXAFS data analysis of nano catalysts via neural networks

Journal of Catalysis, Journal Year: 2025, Volume and Issue: unknown, P. 116145 - 116145

Published: April 1, 2025

Language: Английский

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Deciphering electrocatalysts with multimodal operando approaches

Nature Materials, Journal Year: 2025, Volume and Issue: unknown

Published: April 18, 2025

Language: Английский

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Guided electrocatalyst design through in-situ techniques and data mining approaches

Nano Convergence, Journal Year: 2025, Volume and Issue: 12(1)

Published: April 18, 2025

Abstract Intuitive design strategies, primarily based on literature research and trial-and-error efforts, have significantly contributed to advancements in the electrocatalyst field. However, inherently time-consuming inconsistent nature of these methods presents substantial challenges accelerating discovery high-performance electrocatalysts. To this end, guided approaches, including in-situ experimental techniques data mining, emerged as powerful catalyst optimization tools. The former offers valuable insights into reaction mechanisms, while latter identifies patterns within large databases. In review, we first present examples using techniques, emphasizing a detailed analysis their strengths limitations. Then, explore data-mining-driven development, highlighting how data-driven approaches complement accelerate catalysts. Finally, discuss current possible solutions for design. This review aims provide comprehensive understanding methodologies inspire future innovations electrocatalytic research.

Language: Английский

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From pages to patterns: Towards extracting catalytic knowledge from structure and text for transition-metal complexes and metal-organic frameworks

Journal of Catalysis, Journal Year: 2025, Volume and Issue: unknown, P. 116174 - 116174

Published: May 1, 2025

Language: Английский

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Reaction Mechanism Investigation of Hematite Photoanodes for Photoelectrochemical Water Splitting: Progress of In Situ and Operando Spectroscopy

The Journal of Physical Chemistry C, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 16, 2024

Hematite photoanodes, a promising candidate for photoelectrochemical (PEC) water splitting, are far from reaching their theoretical photocurrent limit. Further designing high-performance hematite-based photoanodes requires an in-depth understanding of the reaction mechanism PEC splitting. In situ and operando spectral characterizations facilitate investigation, revealing dynamic surface structures intermediates hematite during splitting process. Herein, in spectroscopic techniques were applied mechanistic system, such as UV–visible spectroscopy, Raman infrared transient absorption transmission electron microscopy, X-ray atomic force microscope, photoelectron paramagnetic resonance spectroscopy. The recent progress on charge carrier dynamics interfacial oxygen evolution (OER) is summarized. An outlook challenges prospects given. This review will inspire future investigation to achieve higher performance.

Language: Английский

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Structural dynamics of a nickel electrocatalyst during water splitting observed via the operando pair distribution function

Cell Reports Physical Science, Journal Year: 2024, Volume and Issue: 5(12), P. 102341 - 102341

Published: Dec. 1, 2024

Language: Английский

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