Results 251 to 260 of about 11,300,632 (342)

Au@AuPd Core-Alloyed Shell Nanoparticles for Enhanced Electrocatalytic Activity and Selectivity under Visible Light Excitation. [PDF]

open access: yesACS Nano
da Silva KN   +18 more
europepmc   +1 more source

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   +1 more source

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   +1 more source

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   +1 more source

Electrolyte‐Replacement‐Free Continuous Electrocatalytic Desalination Coupled With CO2 Reduction at Record Throughput and Low Cost

open access: yesAngewandte Chemie, EarlyView.
A continuous electrocatalytic desalination system powered by CO2 electroreduction that eliminates electrolyte replacement through a self‐balancing circulating design. Using a five‐chamber architecture and an efficient cobalt‐based catalyst, it achieves ultrafast salt removal, high CO production efficiency, and stable long‐term operation, offering a ...
Man Liang   +8 more
wiley   +1 more source

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