Results 191 to 200 of about 64,958 (266)

Advancements in Graphdiyne‐Based Multiscale Catalysts for Green Hydrogen Energy Conversion

open access: yesAdvanced Intelligent Discovery, EarlyView.
This review systematically explores the fundamental characteristics of graphdiyne (GDY), cutting‐edge field of GDY‐based multiscale catalysts within sustainable energy conversion systems.Special emphasis is placed on the structure‒property relationships in different reactions.
Qian Xiao, Lu Qi, Siao Chen, Yurui Xue
wiley   +1 more source

FIRE‐GNN: Force‐Informed, Relaxed Equivariance Graph Neural Network for Rapid and Accurate Prediction of Surface Properties

open access: yesAdvanced Intelligent Discovery, EarlyView.
This study introduces FIRE‐GNN, a force‐informed, relaxed equivariant graph neural network for predicting surface work functions and cleavage energies from slab structures. By incorporating surface‐normal symmetry breaking and machine learning interatomic potential‐derived force information, the approach achieves state‐of‐the‐art accuracy and enables ...
Circe Hsu   +5 more
wiley   +1 more source

Gate-Localized Fluorination Enables Enhancement-Mode AlGaN/GaN High-Electron Mobility Transistors. [PDF]

open access: yesACS Appl Electron Mater
Kim DW   +10 more
europepmc   +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

Accelerated <sup>19</sup>F biomolecular magic-angle spinning NMR with paramagnetic dopants. [PDF]

open access: yesMagn Reson (Gott)
Becker LM   +6 more
europepmc   +1 more source

A Self‐Driving Lab for Solution‐Processed Electrochromic Thin Films

open access: yesAdvanced Intelligent Systems, EarlyView.
A self‐driving laboratory accelerates the development of solution‐processed electrochromic thin films. By coupling machine learning with robotic fabrication and characterization, this closed‐loop platform systematically navigates complex processing parameters.
Selma Dahms   +7 more
wiley   +1 more source

Per‐ and Polyfluoroalkyl Substances (PFAS) Exposure Profiles and Their Predictors in a Study of US Volunteer Firefighters

open access: yesAmerican Journal of Industrial Medicine, EarlyView.
ABSTRACT Introduction Firefighters may experience occupational exposure to per‐ and polyfluoroalkyl substances (PFAS). Volunteer firefighters make up 65% of the US fire service, but their serum PFAS profiles have not been well characterized. This study aims to (1) describe PFAS serum profiles among US volunteer firefighters from 9 states enrolled in ...
Katherine A. Lubina   +16 more
wiley   +1 more source

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