Results 161 to 170 of about 1,551,868 (284)

New High‐Tc Charge‐Transfer Multiferroicity in the Quasi‐2D Antiferromagnet CrSbS3

open access: yesAdvanced Science, EarlyView.
ABSTRACT Low‐dimensional magnets, particularly 2D systems, offer a rich platform for realizing unconventional multiferroic mechanisms, especially when multiple polarization channels coexist. In the quasi‐2D antiferromagnet CrSbS3, which crystallizes in the centrosymmetric orthorhombic space group Pnma and orders magnetically at TN ≈ 90 K, two ...
Hung‐Cheng Wu   +17 more
wiley   +1 more source

INB3P: A Multi‐Modal and Interpretable Co‐Attention Framework Integrating Property‐Aware Explanations and Memory‐Bank Contrastive Fusion for Blood–Brain Barrier Penetrating Peptide Discovery

open access: yesAdvanced Science, EarlyView.
INB3P is a multimodal framework for blood–brain barrier‐penetrating peptide prediction under extreme data scarcity and class imbalance. By combining physicochemical‐guided augmentation, sequence–structure co‐attention, and imbalance‐aware optimization, it improves predictive performance and interpretability.
Jingwei Lv   +11 more
wiley   +1 more source

A Metal‐Free Molecular Ferroelectric With Large Piezoelectricity and Its Porous Composite for Superior Output Power Density

open access: yesAdvanced Science, EarlyView.
Metal‐free molecular crystal [(CH3C6H10NH3)(18‐crown‐6)][ClO4] functions as a high‐performance molecular ferroelectric. Through strategic methylation of the cyclohexylamine unit, the compound achieves large spontaneous polarization and outstanding piezoelectric coefficients.
Nan Chen   +4 more
wiley   +1 more source

Synergistic Spin‐Polarization and Single‐Atom Engineering in Magnetic Heterojunctions for Efficient Solar Water Splitting

open access: yesAdvanced Science, EarlyView.
High‐throughput screening led to the identification of 67 Z‐scheme heterojunctions (comprising 2D magnetic transition metal halides and non‐magnetic transition metal chalcogenides). For CrI3/MoTe2 and CrI3/WTe2, electronic structure analysis demonstrated that synergistic crystallographic point group and built‐in electric field effects generate a ...
Hongyang Ren   +8 more
wiley   +1 more source

High‐Throughput Screening and Interpretable Machine Learning for Rational Design of Bimetallic Catalysts for Methane Activation

open access: yesAdvanced Science, EarlyView.
ABSTRACT Methane's efficient catalytic removal is vital for sustainable development. Bimetallic catalysts, though promising for methane activation, pose a design challenge due to their complex compositional space. This work introduces an integrated framework that combines high‐throughput density functional theory (DFT) and interpretable machine ...
Mingzhang Pan   +8 more
wiley   +1 more source

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