Histidine-derivate modified Cu/SiO2 catalyst for selective hydrogenation of dimethyl oxalate to methyl glycolate

Fuel, Journal Year: 2024, Volume and Issue: 381, P. 133701 - 133701

Published: Nov. 15, 2024

Language: Английский

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Integrating Sustainable Chemistry Principles in Polydiacetylene (PDA) Synthesis

Asian Journal of Organic Chemistry, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 19, 2024

Abstract Polydiacetylenes (PDAs) represent one of the most intriguing classes semiconducting polymers, captivating researchers with their unique properties and diverse applications. They possess remarkable electronic optical characteristics, as well ability to undergo dramatic color changes in response various stimuli. This perspective explores integration sustainable chemistry principles into synthesis PDAs. We highlight how several elements such diacetylene green‐coupling synthesis, biodegradability, solid state biobased precursors, can contribute advancement more responsible innovative PDAs materials.

Language: Английский

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N-heterocyclic carbene coordinated single atom catalysts on C₂N for enhanced nitrogen reduction

Journal of Materials Informatics, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 28, 2024

Single-atom catalysts (SACs) with N-heterocyclic carbene (NHC) coordination provide an effective strategy for enhancing nitrogen reduction reaction (NRR) performance by modulating the electronic properties of metal active sites. In this work, we designed a novel NHC-coordinated SAC embedding transition metals (TM) into two-dimensional C2N-based nanomaterial (TM@C2N-NCM) and evaluated NRR catalytic using combination density functional theory machine learning. A multi-step screening identified eight high-performance (TM = Nb, Fe, Mn, W, V, Ta, Zr, Ti), Nb@C2N-NCM showing best (limiting potential -0.29 V). All demonstrated lower limiting values compared to their TM@graphene-NCM counterparts, revealing effectiveness C2N substrate in activity. Machine learning analysis achieved high predictive accuracy (coefficient determination 0.91; mean absolute error 0.19) final step protonation (S6), Mendeleev number (Nm), d-electron count (Nd) as key factors influencing performance. This study offers valuable insights rational design SACs highlights nanomaterials advancing electrocatalysts.

Language: Английский

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Cu@C2N-Catalyzed Transformations of Alkynes: Hydration and Glaser–Hay Coupling

Synfacts, Journal Year: 2024, Volume and Issue: 20(06), P. 0620 - 0620

Published: May 14, 2024

Key words nano-copper catalysis - C2N support alkyne hydration Glaser–Hay reaction

Language: Английский

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