Results 201 to 210 of about 52,159,458 (292)

Configurational Entropy and Compositional Effects in Fe‐Based Oxide 2D Sheets for Nitrate Electroreduction

open access: yesAdvanced Energy Materials, EarlyView.
FeCuCoMnZnOx integrates diverse heteroatomic bridge‐site environments and composition‐dependent electronic structures to promote nitrate activation and sequential hydrogenation toward ammonia, demonstrating that nitrate reduction reaction performance is governed by the combined effects of composition and local coordination rather than configurational ...
Muhammad Usman   +14 more
wiley   +1 more source

Evaluation of plasma‐reaction‐driving capability in dielectric barrier discharge systems: Insights from CH4 splitting

open access: yesAIChE Journal, EarlyView.
Abstract Dielectric barrier discharge (DBD) plasma systems are promising routes for CH4 splitting to COx‐free hydrogen, but their optimization has historically been hindered by the lack of a universal descriptor linking electrical input with chemical output.
Nan Zou   +4 more
wiley   +1 more source

Sonocatalytic carbon dioxide reduction for syngas production over surface‐roughened CuxO catalyst

open access: yesAIChE Journal, EarlyView.
Abstract The transition to a carbon‐circular economy requires efficient technologies for converting CO2 into value‐added chemical feedstocks. Sonocatalytic CO2 conversion has recently emerged as a compelling approach to drive this conversion. Here, we report a surface‐roughened CuxO catalyst for sonocatalytic CO2 reduction in aqueous media, achieving a
Dong Xia   +5 more
wiley   +1 more source

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

open access: yesAdvanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy   +8 more
wiley   +1 more source

AI‐Guided Co‐Optimization of Advanced Field‐Effect Transistors: Bridging Material, Device, and Fabrication Design

open access: yesAdvanced Intelligent Discovery, EarlyView.
This article outlines how artificial intelligence could reshape the design of next‐generation transistors as traditional scaling reaches its limits. It discusses emerging roles of machine learning across materials selection, device modeling, and fabrication processes, and highlights hierarchical reinforcement learning as a promising framework for ...
Shoubhanik Nath   +4 more
wiley   +1 more source

The numerical reactor system for China's new-generation exascale supercomputer. [PDF]

open access: yesInnovation (Camb)
Miao X   +14 more
europepmc   +1 more source

Multi‐Property Machine Learning Models to Accelerate the Transition Toward Bio‐Based Emulsion Polymers

open access: yesAdvanced Intelligent Discovery, EarlyView.
A machine learning framework simultaneously predicts four critical properties of monomers for emulsion polymerization: propagation rate constant, reactivity ratios, glass transition temperature, and water solubility. These tools can be used to systematically identify viable bio‐based monomer pairs as replacements for conventional formulations, with ...
Kiarash Farajzadehahary   +1 more
wiley   +1 more source

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