Results 201 to 210 of about 7,051,549 (295)

Machine learning driven many‐objective moving horizon scheduling optimization

open access: yesAIChE Journal, EarlyView.
Abstract Industrial electrification can decarbonize chemical manufacturing, but it exposes operations to volatile electricity prices and carbon intensities. This work develops a machine learning‐enhanced many‐objective moving horizon scheduling framework that predicts objective correlation groupings from 48‐hour price and emission‐intensity profiles ...
Hongxuan Wang, Andrew Allman
wiley   +1 more source

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

Luminescence Vapochromism of a Cu(I)/Na Phosphane Iodide Assembly Based on a Secondary‐Sphere Sodium Response

open access: yesAngewandte Chemie, EarlyView.
The luminescence of a heterometallic d‐s {Cu2I2Na2} phosphane‐phosphinate aggregate is regulated by an interplay of Na+–π/I– contacts and reversible coordination of oxygen‐containing organic molecules to Na ions. Structural variations caused by the incoming guest lead to a wide and selective variation of the emission color and illustrate a new approach
Henna Korhonen   +10 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

Rerouting Oxygen Evolution Through Interfacial Carbonate Chemistry in Near‐Neutral Seawater Electrolysis

open access: yesAngewandte Chemie, EarlyView.
Carbonate species play a previously overlooked role in near‐neutral seawater electrocatalysis. By coupling electrochemical hydrodynamics with mesoscopic simulations, we reveal a plausible carbonate‐mediated route in which carbonate functions as an interfacial proton acceptor and water as the oxygen donor, showing a possible mechanistic picture of ...
Miao Wang   +2 more
wiley   +2 more sources

Dissipative Regenerative Chemiluminescence in Water: A Perylene‐Based Out‐of‐Equilibrium Light‐Emitting System

open access: yesAngewandte Chemie, EarlyView.
Driven by sodium dithionite and hydrogen peroxide under mild aqueous conditions, a water‐soluble perylene bisimide undergoes reversible electron‐transfer cycles that generate its emissive excited state without dye decomposition. We define this out‐of‐equilibrium system as chemically fueled regenerative chemiluminescence (CFRCL), opening new avenues for
Luca Morgan   +5 more
wiley   +2 more sources

Plasticization of Wood by Alkali Treatment

open access: yesNihon Reoroji Gakkaishi(Journal of the Society of Rheology, Japan), 1988
openaire   +2 more sources

Created Ex Nihilo: A Near‐Infrared Afterglow Luminescent Framework of Imidazole Derivatives for Bioimaging

open access: yesAngewandte Chemie, EarlyView.
A series of Ir(III) complexes (Ir‐1‐Ir‐4) based on imidazole derivatives provide a new afterglow luminescence mechanism. The work expands the range of afterglow luminescence frameworks to overcome: (i) a lack of new afterglow scaffolds; (ii) the dependence on initial external light activation; and (iii) aggregation‐caused quenching.
Zihan Wu   +9 more
wiley   +2 more sources

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