Results 201 to 210 of about 285,197 (301)

Interpretable Machine Learning for Bandgap Prediction and Descriptor‐Guided Design Rules of Phosphates

open access: yesAdvanced Intelligent Discovery, EarlyView.
An explainable CatBoost model was trained to predict the bandgaps of 474 phosphate crystals based on composition and density descriptors. SHAP analysis identified two key variables—d‐electron‐count dispersion and atomic‐density dispersion—as the primary drivers of the model's predictions.
Wenhu Wang   +3 more
wiley   +1 more source

Photocatalytic Lignin Depolymerization and Cross‐Coupling With Alcohols to Produce Unsymmetric Aromatic Diols

open access: yesAngewandte Chemie, EarlyView.
A photocatalytic approach for efficient one‐pot direct lignin depolymerization and subsequent cross‐coupling with alcohols for the production of unsymmetrical aromatic diols has been demonstrated. ABSTRACT Conversion of lignin into chemical products typically involves two separate steps, such as depolymerization and subsequent upgrading of monomers ...
Hongji Li   +7 more
wiley   +2 more sources

Materials Representation Learning Based on a Material–Motif Network and Heterogeneous Graphs

open access: yesAdvanced Intelligent Discovery, EarlyView.
Structure motifs in materials are used to construct a bipartite material–motif network that links each material to its constituent motifs and establishes connectivity among materials sharing common motifs. Network analysis reveals material clusters associated with different functional applications and supports motif‐guided screening of materials.
Anoj Aryal   +3 more
wiley   +1 more source

Programmable Solid‐Electrolyte Interfaces for Efficient and Selective Electrochemical Hydrogenations

open access: yesAngewandte Chemie, EarlyView.
Poly(ionic liquid) binders are shown to actively control the electrode microenvironment, strongly enhancing electrochemical hydrogenation compared to traditional binders. The work redefines the binder as an active component of catalytic electrode design, reshaping local potential gradients and interfacial ion distribution to modulate adsorbed H ...
Anastasios Orestis Grammenos   +9 more
wiley   +2 more sources

Dielectric Elastomer Actuators as Safe and Effective Tools for Mechanostimulation of Human Cells

open access: yesAdvanced Intelligent Systems, EarlyView.
Replicating physiological forces is crucial for realistic cell models. Dielectric elastomer actuators (DEAs) offer a soft alternative, though their high voltages raised toxicity concerns. We demonstrate that DEA stimulation causes no cell damage, cell death or cell‐cycle disruption, while activating mechanosensitive responses.
Simon Holzer   +6 more
wiley   +1 more source

Bifurcation of *COOH Pathway Determines HCOOH Formation in CO2 Electroreduction on Bismuth

open access: yesAngewandte Chemie, EarlyView.
Driven by the mechanistic debate of Bi‐catalyzed CO2‐to‐HCOOH conversion, ambiguity remains regarding true reaction pathways. To resolve this, we combined constant‐potential AIMD simulations with spectroscopic evidence to analyze the competitive pathways.
Hyun Dong Jung   +4 more
wiley   +2 more sources

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