Results 131 to 140 of about 235,617 (265)

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

open access: yesAdvanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu   +5 more
wiley   +1 more source

Superatom Distortion Induces Triferroicity and Spin Splitting in Two‐Dimensional Antiferromagnets

open access: yesAdvanced Science, EarlyView.
The incorporation of superatoms into a 2D square lattice induces symmetry breaking, thereby enabling concurrent coupling among magnetism, ferroelectricity, and ferroelasticity. This strategy achieves triferroic behavior—characterized by spin‐split antiferromagnetic ground states—and offers a viable pathway toward energy‐efficient spintronic devices ...
Zhen Gao   +6 more
wiley   +1 more source

Automated Extraction of Multicomponent Alloy Data Using Large Language Models for Sustainable Design

open access: yesAdvanced Science, EarlyView.
A large language model (LLM) based pipeline is developed to automatically extract a comprehensive and accurate multicomponent alloy database from literature corpus. The extracted dataset is integrated with sustainability indicators to identify potential alloys that outperform existing industrial benchmark materials in terms of both performance and ...
Aravindan Kamatchi Sundaram   +4 more
wiley   +1 more source

Halide Perovskite: A Rich Source of Thermal Insulator

open access: yesAdvanced Science, EarlyView.
Halide perovskites exhibit ultralow thermal conductivity driven by intrinsic lattice softness and strong anharmonicity, falling below conventional defect‐engineering limits. Weak metavalent bonding, A‐site rattling, and dynamic octahedral tilting drive phonon scattering to the Ioffe–Regel limit, where wave‐like tunneling replaces particle‐like ...
Haolin Ye   +3 more
wiley   +1 more source

Assessment of transaction values between affiliated entities

open access: yesScientific Papers of Silesian University of Technology Organization and Management Series, 2023
openaire   +1 more source

Real‐Time Ferroelectric Domain Wall Dynamics During Electric Poling and Depoling

open access: yesAdvanced Science, EarlyView.
Real‐time visualization of domain wall dynamics during alternating‐current poling, direct‐current poling, and electrical depoling in relaxor‐PT ferroelectric single crystals reveals distinct field‐dependent pathways and strong path dependence. Instant polarized light microscopy uncovers reversible domain wall nucleation, motion, and reconfiguration ...
Ziqi Wang   +12 more
wiley   +1 more source

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