Results 251 to 260 of about 3,799,599 (344)

Machine Learning‐Assisted Inverse Design of Soft and Multifunctional Hybrid Liquid Metal Composites

open access: yesAdvanced Functional Materials, EarlyView.
A machine learning framework is presented for inverse design of synthesizable multifunctional composites containing both liquid metal and solid inclusions. By integrating physics‐based modeling, data‐driven prediction, and Bayesian optimization, the approach enables intelligent design of experiments to identify optimal compositions and realize these ...
Lijun Zhou   +5 more
wiley   +1 more source

Orbital Geometry‐Governed Response of Pressure‐Tunable Quantum Defects in hBN

open access: yesAdvanced Functional Materials, EarlyView.
Defects in hBN act as ultrasensitive quantum manometers when the energy of the intradefect optical transitions is modified by lattice compression. The orbital geometry of the electron wave functions governs how electron hopping and Coulomb interactions react uniquely to the reduction of the van der Waals gap and in‐plane compression, leading to robust ...
Magdalena Grzeszczyk   +6 more
wiley   +1 more source

Exciton Binding Energy of Phosphorescent Emitter Molecules in Organic Light‐Emitting Diodes

open access: yesAdvanced Functional Materials, EarlyView.
Energy level alignment is key to efficient OLED design, yet determining LUMO energies remains challenging. A methodology based on field‐induced dissociation and kinetic Monte Carlo simulations is presented to extract LUMO energies of iridium‐based phosphorescent emitters from their exciton binding energy.
Hiroki Tomita   +6 more
wiley   +1 more source

Semi-Rational Engineering of Formate Dehydrogenase Reveals Loop Dynamics as a Key Determinant of Thermostability. [PDF]

open access: yesChembiochem
Boonkumkrong R   +7 more
europepmc   +1 more source

The Ni,Cd Heteroatoms‐Initiated Synergistic Tuning of Electron Configuration in Fe2VO4 Nanosheets Electrocatalysts to Profoundly Stabilize Alkaline Seawater Electrolysis

open access: yesAdvanced Functional Materials, EarlyView.
A Ni,Cd‐codoped Fe2VO4/NF bifunctional electrocatalyst is rationally designed for efficient seawater electrolysis. Synergistic effect modulates electron configuration, optimizes intermediates adsorption, stabilizes high‐valence Fe/V sites, and repels chloride ions to suppress corrosion and side reactions, thus contributing to performance improvement of
Weiguo Huang   +15 more
wiley   +1 more source

Domain-guided engineering of a thermoresistant Vip3A toxin for enhanced functional robustness. [PDF]

open access: yesSci Rep
Kunlawatwimon T   +6 more
europepmc   +1 more source

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