Results 141 to 150 of about 37,717 (312)

Vacancy Engineered Zero‐Valent Iron Steer Hydrogen Spillover toward Per‐ and Polychlorinated Organics Rapid Complete Dechlorination

open access: yesAdvanced Science, EarlyView.
Zero‐valent iron with a vacancy‐rich carbon shell and lattice Cu doping in Fe0 cores generates a dechlorination mechanism combining enhanced electron transfer and modulated H* spillover, which significantly lowers the energy barrier for dechlorinating low‐chlorinated intermediates, accelerates C─Cl bond dissociation, and then delivers breakthrough ...
Zimin Yan   +7 more
wiley   +1 more source

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

Mechanism of Anomalous Anisotropic Colossal Magnetoresistance in Quasi‐2D Mn3Si2Te6 Bulk Single Crystal

open access: yesAdvanced Science, EarlyView.
The external field exceeds Hd, the speed polarization abruptly reorients to align with the Mn magnetic moments, leading to an MR ≈ −100%. Abstract Mn3Si2Te6, quasi‐2D ferrimagnetic semiconductor, exhibits anomalous saturated colossal magnetoresistance (CMR) only when a magnetic field is applied along its magnetic hard magnetization axis, suggesting ...
Shiqi Li   +10 more
wiley   +1 more source

Understanding the Interplay Between Thermal Activation, Diffusion, and Phase Segregation of Molecular Dopants Blended with Polymeric Semiconductors

open access: yesAdvanced Electronic Materials, EarlyView.
The use of air stable but thermally labile molecules provides an efficient strategy for the N‐type doping of organic semiconductors with relatively low electron affinities. Design criteria for efficient dopants should also take into account diffusion and phase segregation that cannot be decoupled from thermally activated doping.
Francesca Pallini   +15 more
wiley   +1 more source

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