Results 221 to 230 of about 54,095 (295)

Photocatalytic Transfer Hydrogenation Using Plastic Hydrolysates as Hydrogen Donor

open access: yesAngewandte Chemie, EarlyView.
Plastic waste is transformed into functional amines via solar‐driven transfer hydrogenation. Soluble monomers from acid hydrolysis of waste polymers serve as a hydrogen (electron/proton)donors in the selective reduction of nitroarenes using a visible light active photocatalyst consisting of cobalt promoted molybdenum disulfide integrated in cyanamide ...
Papa K. Kwarteng   +2 more
wiley   +2 more sources

Strategies Toward Accessing Enantioenriched (Hetero)Benzo‐Fused 5‐ and 6‐ Membered Rings via Intermolecular Carbometalation

open access: yesAngewandte Chemie, EarlyView.
The use of transition‐metal catalysts and design of chiral ligands have allowed chemists to access highly functionalized benzofused 5‐ and 6‐ membered rings in high yield and enantioselectivity. A common strategy used relies on an intermolecular carbometalation across alkynes and olefins, usually followed by a subsequent intramolecular carbometalation.
Clara Jans   +3 more
wiley   +2 more sources

Atomic‐Scale Understanding of Selectivity Control in Nitrate Reduction on Cu(100) Under Acidic and Alkaline Conditions

open access: yesAngewandte Chemie, EarlyView.
A combination of ab initio molecular dynamics simulations and density functional theory calculations clarifies the pH‐dependent origin of the selectivity of nitrate reduction on Cu(100). ABSTRACT We investigate the nitrate reduction reaction (NO3 RR) on the Cu(100) surface using grand‐canonical density functional theory (GC‐DFT) under constant ...
Ebrahim Tayyebi, Kai S. Exner
wiley   +2 more sources

Dual‐Sabatier Optima: How Reaction Mechanism Determines Activity Volcano Map of Dual‐Atom Catalysts for Oxygen Reduction Reaction

open access: yesAngewandte Chemie, EarlyView.
Dual‐atom catalysts (DACs) for oxygen reduction reaction (ORR), where the dissociative mechanism dominates, show a dual‐Sabatier optima volcano map, diverging from the classical single‐peak volcano of the associative mechanism. Potential‐dependent microkinetic modeling and interpretable machine learning rationalize experimental data and provide design ...
Jin Liu   +3 more
wiley   +2 more sources

Multi‐Objective Catalyst Discovery in High‐Entropy Alloy Composition Space: The Role of Noble Metals on the Pareto Front for Oxygen Reduction Reaction

open access: yesAngewandte Chemie, EarlyView.
Pareto optimal compositions of alloy catalyst for oxygen reduction reaction are uncovered through multi‐objective Bayesian optimization of activity, stability, and material cost in an eight‐element high‐entropy alloy composition space. The substantial Pareto front obtained is compared to experimental literature and analyzed to elucidate the roles and ...
Mads K. Plenge   +4 more
wiley   +2 more sources

Spin‐State Modulation of Atomic Iron Sites Enables Efficient CO2 Electroreduction in Acid Medium

open access: yesAngewandte Chemie, EarlyView.
An axial oxygen ligand was added to shift the spin state of the single‐atom Fe site from low to medium spin. This change reduces the interfacial interaction with H3O+ and decreases the *CO desorption energy, thus enhancing CO2RR in acidic media.
Shanhe Gong   +13 more
wiley   +2 more sources

Coupling Electrochemical CO2 Reduction With Ethanol Oxidation for Acetate Production in a Dual‐Electrolyzer System

open access: yesAngewandte Chemie, EarlyView.
A tandem cell system coupling electrochemical CO2 reduction and electrochemical ethanol oxidation is demonstrated for overall acetate production, providing concepts for a CO2‐negative bioethanol to acetate pathway. ABSTRACT Bioethanol production from biomass is suggested as a strategy for greener fuel production.
Anirudha Shekhawat   +5 more
wiley   +2 more sources

Convergent Valorization via Scalable C═N Bond Electrosynthesis Through Metal‐Dopant Interfacial Engineering in a Flow Electrolyzer

open access: yesAngewandte Chemie, EarlyView.
This study establishes an innovative approach to synthesize organonitrogens featuring C═N bonds efficiently using non‐precious metal‐doped MoS2 in a flow electrolyzer. Fe dopant significantly enhances Faradaic efficiency and yield rate, achieving over 81% and 2630 mmol h−1 g−1 for formaldoxime production. This platform upcycles pollutants into valuable
Ruijie Yi   +9 more
wiley   +2 more sources

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