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Learning Crystallographic Disorder: Bridging Prediction and Experiment in Materials Discovery

open access: yesAdvanced Materials, EarlyView.
Machine learning based computational materials discovery workflows have recently proposed thousands of potentially stable crystalline materials. However, the experimental realization of these predictions is often challenging because the models assume perfectly ordered structures.
Konstantin S. Jakob   +3 more
wiley   +1 more source

Astrocyte Interactions With Ti3C2Tx MXene Flakes: Insights Into Viability, Morphology, and Functionality

open access: yesAdvanced Materials Interfaces, EarlyView.
This study presents the first systematic evaluation of interactions between astrocytes and Ti3C2TX MXene flakes, a 2D nanomaterial with emerging neuroelectronic applications. Using a multimodal approach, including viability assays, morphometric analysis, and calcium imaging, this work demonstrates high biocompatibility and preserved function in ...
Dimitris Boufidis   +7 more
wiley   +1 more source

A Kinetic Monte Carlo Model to Understand Limiting Regimes of Photocurrent and Interfacial Charge Transfer in Organic Semiconductor–Electrolyte Interfaces

open access: yesAdvanced Materials Interfaces, EarlyView.
The interface between a conjugated polymer and phosphate buffer saline is modeled by employing multiphysics kinetic Monte Carlo simulation. Results demonstrate that the Marcus Gerischer theory is inadequate, and particle‐based simulation with molecular Marcus theory is required for accurate modeling.
Shengda Wang   +5 more
wiley   +1 more source

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