Results 211 to 220 of about 219,346 (293)

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

Angewandte 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

Influence of glass-ceramics transmittance on chemomechanical properties of light- and dual-cure resin cements. [PDF]

Braz Dent J
Guimarães RCC, Oliveira D, Rocha MG, Roulet JF, Geraldeli S, Sinhoreti MAC.   +5 more
europepmc   +1 more source

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

Angewandte 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, Hao Li, Haoxiang Xu, Daojian Cheng   +3 more
wiley   +2 more sources

Effect of Laser Irradiation on Fluoride Uptake in Primary Teeth Treated with 38% Silver Diamine Fluoride or 5% Sodium Fluoride Varnish: An <i>In Vitro</i> Study. [PDF]

Int J Clin Pediatr Dent
Bhati V, Srivastava VK.
europepmc   +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

Angewandte 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, Ahmad Tirmidzi, Christian M. Clausen, Matthias Arenz, Jan Rossmeisl   +4 more
wiley   +2 more sources

Nonreciprocal Negative Refraction Enabled by Photonic Time Crystals. [PDF]

Nano Lett
Tavakol MR, Cai W.
europepmc   +1 more source

Light‐Induced Dispersion of Pd Single Atoms Provides Steady‐State‐Stabilized Activity for Photocatalytic H2 Generation

Angewandte Chemie, EarlyView.
High photon flux causes (re)distionpersion of atomic Pd species on TiO2 in photocatalytic experiments, whereas Pt SAs undergo continuous agglormation. This allows light‐driven stabilization of active Pd centers for sustained H2 evolution. ABSTRACT In recent years, the use of single atoms (SAs) has become increasingly significant in photocatalysis ...
Xin Zhou, Nikita Denisov, Ana S. Dobrota, Natalia V. Skorodumova, Igor A. Pašti, Hyesung Kim, Patrik Schmuki   +6 more
wiley   +2 more sources

Mechanical Response of Two-Way Reinforced Concrete Slabs Under Combined Horizontal and Vertical Loads in Fire. [PDF]

Materials (Basel)
Feng X, Wang Y, Zha X, Jiang B, Xu Q, Wang W, Ding F.   +6 more
europepmc   +1 more source

Developing Interface Force Fields for Water and Oxygen on Pt, and <i>Pt</i> _<i>3</i> <i>Ni</i>, <i>Pt</i> _<i>3</i> <i>Co</i> Alloy Surfaces for Proton-Exchange Membrane Fuel Cell (PEMFC) Applications. [PDF]

ACS Omega
Kale AS, Raabe G.
europepmc   +1 more source