A review of electroreduction of CO2 to C1 products: Catalysts design, characterizations and performance evaluation

Surfaces and Interfaces, Journal Year: 2024, Volume and Issue: 48, P. 104353 - 104353

Published: April 16, 2024

Language: Английский

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Palladium Membrane Applications in Hydrogen Energy and Hydrogen-Related Processes

Polymers, Journal Year: 2025, Volume and Issue: 17(6), P. 743 - 743

Published: March 12, 2025

In recent years, increased attention has been paid to environmental issues and, in connection with this, the development of hydrogen energy. turn, this requires large-scale production ultra pure hydrogen. Currently, most is obtained by converting natural gas and coal. regard, issue deep purification for use fuel cells very relevant. The also necessary some other areas, including microelectronics. Only palladium membranes can provide required degree purification. addition, membrane catalysis relevant widely demanded processes hydrogenation dehydrogenation, which reactors are used. This process successfully used single-stage high-purity Polymeric palladium-containing purify remove various pollutants from water, organochlorine products, nitrates, a number substances.

Language: Английский

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Alkaline oxygen reduction/evolution reaction electrocatalysis: A critical review focus on orbital structure, non-noble metal catalysts, and descriptors

Chemical Engineering Journal, Journal Year: 2024, Volume and Issue: 497, P. 155005 - 155005

Published: Aug. 23, 2024

Language: Английский

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Safety Landscape of Therapeutic Nanozymes and Future Research Directions

Advanced Science, Journal Year: 2024, Volume and Issue: unknown

Published: Oct. 24, 2024

Abstract Oxidative stress and inflammation are at the root of a multitude diseases. Treatment these conditions is often necessary but current standard therapies to fight excessive reactive oxygen species (ROS) ineffective or complicated by substantial safety concerns. Nanozymes emerging nanomaterials with intrinsic enzyme‐like properties that hold great promise for effective cancer treatment, bacterial elimination, anti‐inflammatory/anti‐oxidant therapy. While there rapid progress in tailoring their catalytic activities as evidenced recent integration single‐atom catalysts (SACs) create next‐generation nanozymes superior activity, selectivity, stability, better understanding tuning profile imperative successful clinical translation. This review outlines applied assessment approaches provides comprehensive summary knowledge therapeutic nanozymes. Overall, so far show good vitro vivo biocompatibility despite considerable differences composition enzymatic activities. However, investigations mostly cover limited set basic toxicological endpoints, which do not allow thorough deep assessment. Ultimately, remaining research gaps should be carefully addressed future studies highlighted, optimize early pre‐clinical development.

Language: Английский

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Effect of isolated palladium atoms on the performance of PdAg/Al2O3 catalysts for the selective hydrogenation of acetylene

Russian Chemical Bulletin, Journal Year: 2024, Volume and Issue: 73(5), P. 1189 - 1196

Published: May 1, 2024

Language: Английский

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Advancements in catalysts for selective hydrogenation of nitriles to amines

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 103, P. 268 - 287

Published: Jan. 18, 2025

Language: Английский

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Identification of the most promising copper-based SAAs for hydrogen adsorption applications using semiempirical quantum calculation MOPAC-PM7

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 126, P. 496 - 507

Published: April 11, 2025

Language: Английский

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Machine learning and DFT database for C-H dissociation on single-atom alloy surfaces in methane decomposition

Scientific Data, Journal Year: 2025, Volume and Issue: 12(1)

Published: April 17, 2025

Methane decomposition using single-atom alloy (SAA) catalysts, known for uniform active sites and high selectivity, significantly enhances hydrogen production efficiency without CO2 emissions. This study introduces a comprehensive database of C-H dissociation energy barriers on SAA surfaces, generated through machine learning (ML) density functional theory (DFT). First-principles DFT calculations were utilized to determine various ML models trained these results predict wide range surface compositions. The resulting dataset, comprising 10,950 entries with descriptors barriers, as main predictive outcomes, has been validated against existing confirming the reliability predictions. dataset provides valuable insights into catalytic mechanisms SAAs supports development efficient, low-emission technologies. All data computational tools are publicly accessible further advancements in catalysis sustainable solutions.

Language: Английский

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Current trends in organic chemistry: contribution of the N. D. Zelinsky Institute of Organic Chemistry of the Russian Academy of Sciences

Russian Chemical Bulletin, Journal Year: 2024, Volume and Issue: 73(9), P. 2423 - 2532

Published: Sept. 1, 2024

Language: Английский

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DFT Atomic‐Scale Insight into Pt/Cu Single Atom Alloy Clusters Supported on γ‐Al₂O₃: The Effect of Hydrogen Environment

ChemCatChem, Journal Year: 2024, Volume and Issue: 16(18)

Published: June 4, 2024

Abstract Single atom alloy (SAA) clusters formed by anchoring single atoms in small supported host are emerging as catalysts with high performance. In this work, density functional theory (DFT) calculations and ab‐initio molecular dynamics (AIMD) simulations performed to study the stability structure evolution of γ‐alumina‐supported platinum/copper SAA sub‐nanometer size hydrogen environment. Due strong dynamic nature both Cu cluster anchored Pt their evolving interaction support, different isomers geometric energetic properties predicted. Extensive sampling through AIMD reveals effect on location variation shape, from 3D concave planar shapes wetting alumina support. Interfacial site is found be coverage dependent. When increases, located preferentially at interfacial pulled up toward upper surface layers. The Pt/Cu predicted decrease increasing coverage. Finally, electronic analysis dramatic metallic catalysts.

Language: Английский

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