Results 171 to 180 of about 13,368 (281)

Integrated AI and DFT: A Revolutionary Computational Breakthrough for Microwave‐Absorbing Materials Design

open access: yesAdvanced Science, EarlyView.
This perspective examines DFT in microwave‐absorbing materials, highlighting challenges like atomic configuration inaccuracies and electromagnetic field simulation limitations. It proposes integrating DFT and AI techniques such as active learning, Physical Information Neural Networks, and Graph Neural Networks for precise electron dynamics modeling and
Shengchong Hui   +5 more
wiley   +1 more source

Resolving the Capacity‐Stability‐Cost Trilemma in Multi‐Principal‐Element Hydrogen Storage Alloys Through Multi‐Objective Optimization

open access: yesAdvanced Science, EarlyView.
This work presents a paradigm‐shifting multi‐objective optimization strategy for hydrogen storage materials, simultaneously addressing the intrinsic capacity‐stability‐cost trade‐off through precisely engineered Ti‐Zr‐Mn‐Cr‐VFe multi‐principal‐element alloys in C14 Laves phases.
Panpan Zhou   +10 more
wiley   +1 more source

Hot‐Pressing Annealing‐Induced Light Utilization Enhancement and Crystallinity Optimization Enable High‐Performance Narrowband Ultraviolet Photodetectors for Real‐Time Ultraviolet Radiation Monitors

open access: yesAdvanced Science, EarlyView.
By utilizing a hot‐pressing (HP) annealing strategy, Cs3Cu2I5 films with larger grains vertically spanning the entire thickness are fabricated. Because HP annealing enhances light utilization and charge transport in Cs3Cu2I5/GaN heterojunction, the HP device achieves superior detection performance while maintaining narrowband photoresponse to UVA/UVB ...
Jingli Ma   +13 more
wiley   +1 more source

Type‐I Heterostructure CdZnS/ZnS Core/Shell Quantum Dots Scintillators for Stable, High‐Resolution, and Real‐Time X‐Ray Imaging

open access: yesAdvanced Science, EarlyView.
Ultra‐bright Cd0.27Zn0.73S/7 ML‐ZnS core/shell quantum dots exhibit a photoluminescence quantum yield exceeding 96% and a fourfold enhancement in radioluminescence intensity compared to CsPbBr3. Variable‐temperature photophysical analysis reveals that the narrowband emission originates from direct recombination of edge excitons.
Ouyang Wang   +6 more
wiley   +1 more source

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