Results 221 to 230 of about 21,156 (298)

Artificial Intelligence for Multiscale Modeling in Solid‐State Physics and Chemistry: A Comprehensive Review

open access: yesAdvanced Intelligent Systems, EarlyView.
This review explores the transformative impact of artificial intelligence on multiscale modeling in materials research. It highlights advancements such as machine learning force fields and graph neural networks, which enhance predictive capabilities while reducing computational costs in various applications.
Artem Maevskiy   +2 more
wiley   +1 more source

On the Role of Reaction Current Distribution to Attain Competitive Solid‐State Batteries

open access: yesAngewandte Chemie, EarlyView.
We conducted a case study on reaction current inhomogeneities when increasing areal loadings and charging rates in NCM‐argyrodite composite cathodes for solid‐state batteries. Using a combination of cycling experiments and operando high‐energy X‐ray diffraction, we show that employing faster conducting Li5.5PS4.5Cl1.5 instead of Li6PS5Cl as catholyte ...
Johannes Hartel   +8 more
wiley   +2 more sources

Predicting Crystal Structures and Ionic Conductivities in Li3 YCl6−x Brx Halide Solid Electrolytes Using a Fine‐Tuned Machine Learning Interatomic Potential

open access: yesAdvanced Intelligent Systems, EarlyView.
This study refines the Crystal Hamiltonian Graph Network to predict energies, structures, and lithium‐ion dynamics in halide electrolytes. By generating ordered structural models and using an iterative fine‐tuning workflow, we achieve near‐ab initio accuracy for phase stability and ionic transport predictions.
Jonas Böhm, Aurélie Champagne
wiley   +1 more source

Electrolyte Covalent Organic Frameworks for Exceptional Potassium Ion Conduction

open access: yesAngewandte Chemie, EarlyView.
One‐pot polymerization of monomers with oligo(ethylene oxide) side chains of different lengths creates electrolyte covalent organic frameworks with well‐defined K+‐electrolyte pathways in 1D pores for K+ conduction. The materials promote K+ conduction exponentially with the side chain length, achieve exceptional conductivity, and enable frictionless ...
Shanshan Tao   +4 more
wiley   +2 more sources

AI‐Assisted IoT‐Enabled ECG Monitoring: Integrating Foundational and Generative AI Tools for Sustainable Smart Healthcare—Recent Trends

open access: yesAI &Innovation, EarlyView.
ABSTRACT The rapid evolution of the Internet of Things (IoT) has significantly advanced the field of electrocardiogram (ECG) monitoring, enabling real‐time, remote, and patient‐centric cardiac care. This paper presents a comprehensive survey of AI assisted IoT‐based ECG monitoring systems, focusing on the integration of emerging technologies such as ...
Amrita Choudhury   +2 more
wiley   +1 more source

Solvent‐Induced Covalent Bond Softening Boosts Battery Voltage

open access: yesAngewandte Chemie, EarlyView.
The strong attractive interaction between the nucleophilic center of the solvent and the electrophilic region of the covalently bonded cathode fragment triggers charge transfer. This results in the electron population in the antibonding orbital of the covalent bond, leading to bond weakening and elongation, and consequently increasing the cathode ...
Yanyan Wang   +6 more
wiley   +2 more sources

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