Results 131 to 140 of about 24,728 (260)

Remarkable Electric Field‐Controlled Magnetism in La/Sm Co‐Substituted BiFeO3 Multiferroic Ceramics

open access: yesAdvanced Electronic Materials, EarlyView.
The remarkable electric field‐controlled magnetism (change of Mr reaches up to 62.7%) in La/Sm co‐substituted BiFeO3 ceramics, originating from the electric field‐induced phase transition of Pna21/R3c, is achieved by enhancing the dielectric strength. Moreover, the significant improvement in ferroelectricity is also determined after the electric field ...
Qing Tian Li   +3 more
wiley   +1 more source

Discovery of an Ideal HgO12 Icosahedron and Magnetodielectric Coupling in HgCu3Ti4O12

open access: yesAdvanced Electronic Materials, EarlyView.
HgCu3Ti4O12, an A‐site‐ordered quadruple perovskite with a perfectly regular HgO12 coordination, has been synthesized for the first time using high‐pressure methods. The material shows antiferromagnetic ordering at 31 K together with an intrinsic dielectric anomaly, implying possible magnetodielectric coupling.
Haoyu Zheng   +19 more
wiley   +1 more source

Prediction of Structural Stability of Layered Oxide Cathode Materials: Combination of Machine Learning and Ab Initio Thermodynamics

open access: yesAdvanced Energy Materials, EarlyView.
In this work, we developed a phase‐stability predictor by combining machine learning and ab initio thermodynamics approaches, and identified the key factors determining the favorable phase for a given composition. Specifically, a lower TM ionic potential, higher Na content, and higher mixing entropy favor the O3 phase.
Liang‐Ting Wu   +6 more
wiley   +1 more source

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

open access: yesAdvanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park   +19 more
wiley   +1 more source

Mechanisms of Alkali Ionic Transport in Amorphous Oxyhalides Solid State Conductors

open access: yesAdvanced Energy Materials, EarlyView.
Large‐scale machine learning‐based molecular dynamics simulations are used to investigate isovalent amorphous oxyhalides, revealing a remarkable chemically independent ionic conductivity. A rigorous analysis of alkali residence times across different metal–anion environments identifies divalent anions as key diffusion bottlenecks.
Luca Binci   +3 more
wiley   +1 more source

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