Results 191 to 200 of about 199,526 (313)

Bridging Theory and Experiment: Machine Learning Potential‐Driven Insights into pH‐Dependent CO₂ Reduction on Sn‐Based Catalysts

open access: yesAdvanced Functional Materials, EarlyView.
Machine learning potential (MLP) enables large‐scale molecular dynamics (MD) simulations, uncovering dynamic surface reconstruction of SnO₂ and SnS₂ under CO₂ reduction reaction condition. The negative dipole moments upon *OCHO adsorption are the primary factors driving the leftward shift of the volcano plot.
Yuhang Wang   +9 more
wiley   +1 more source

Accelerated Discovery of High‐Performance PCFC Cathodes: Computational‐Experimental Optimization of Cobalt‐Substituted Ba0.95La0.05FeO3‐δ

open access: yesAdvanced Functional Materials, EarlyView.
An integrated computational–experimental strategy accelerates the discovery of high‐performance PCFC cathodes. Computational screening using machine learning interatomic potentials and targeted experiments identifies optimal cobalt substitution in Ba0.95La0.05FeO3‐δ, reducing area‐specific resistance by 58% at 500 °C.
Abdullah Tahir   +4 more
wiley   +1 more source

Probing Early Particle‐Cell Membrane Interactions via Single‐Cell and Single‐Particle Interaction Analysis

open access: yesAdvanced Functional Materials, EarlyView.
The pre‐internalization phase of endocytosis remains poorly characterized at single‐cell levels. Single‐cell pre‐internalization mechanics are investigated using advanced robotic techniques. Cancer cells exhibit biphasic adhesion – rapid initial binding followed by reinforcement – while fibroblasts show gradual engagement.
Houari Bettahar   +6 more
wiley   +1 more source

Flexibility and Dynamicity Enhances and Controls Supramolecular Self‐Assembly of Zinc(II) Metallogels

open access: yesAdvanced Functional Materials, EarlyView.
Zinc(II) coordination complexes with tunable aryloxy‐imine ligands exhibit controllable supramolecular self‐assembly into hierarchical fibrous structures. Coordination‐driven stacking, not π–π interactions, enables gelation, dynamic assembly/disassembly, and enhanced nanomechanical properties.
Merlin R. Stühler   +10 more
wiley   +1 more source

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