Results 211 to 220 of about 422,840 (291)

Mode conversion of hyperbolic phonon polaritons in van der Waals terraces. [PDF]

open access: yesNat Commun
Noh BI   +9 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   +2 more sources

Signatures of the sub-Rayleigh to supershear fracture transition in snow avalanche experiments. [PDF]

open access: yesNat Commun
Bergfeld B   +5 more
europepmc   +1 more source

Volumetric and En Face Hyper-Reflective Henle Fiber Layer in Age-Related Macular Degeneration. [PDF]

open access: yesInvest Ophthalmol Vis Sci
Wang CX   +7 more
europepmc   +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

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