Results 201 to 210 of about 1,592,740 (251)

Construction of Sabatier Volcanoes for CO2 Hydrogenation to C1‐2 Oxygenates Using Data‐Efficient Machine Learning

open access: yesAdvanced Science, EarlyView.
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
wiley   +1 more source

Multiferroic‐Centric Materials and Systems Engineering for Battery Applications: An Insight Into Mechanisms, Strategies, and Characterizations

open access: yesAdvanced Science, EarlyView.
Multiferroic order parameters – polarization, magnetization, and ferroelastic strain – are positioned as dynamic design variables for batteries. Their mechanistic roles, practical tuning through fabrication and external fields, and ferroic‐resolved characterization routes are unified into a closed‐loop framework, revealing how coupled ferroic responses
Jiaqi Su   +13 more
wiley   +1 more source

Rod Origami (RodOri) Spring Metamaterials for Tunable Vibration Control via Tailored Structural Instabilities

open access: yesAdvanced Science, EarlyView.
Rod Origami (RodOri) springs harness snap‐through instabilities of pre‐stressed curved rods with geometrically programmable buckling behavior. Integrating RodOri springs with distinct geometries yields multistable metamaterials that undergo stepwise reconfiguration via sequential snapping, achieving wide‐range tunability of stiffness and resonance ...
Jeseung Lee   +2 more
wiley   +1 more source

Halide Perovskite: A Rich Source of Thermal Insulator

open access: yesAdvanced Science, EarlyView.
Halide perovskites exhibit ultralow thermal conductivity driven by intrinsic lattice softness and strong anharmonicity, falling below conventional defect‐engineering limits. Weak metavalent bonding, A‐site rattling, and dynamic octahedral tilting drive phonon scattering to the Ioffe–Regel limit, where wave‐like tunneling replaces particle‐like ...
Haolin Ye   +3 more
wiley   +1 more source

Anisotropic Memristive Switching in NbOCl2 Enabled by Directional Oxygen Ion Migration

open access: yesAdvanced Science, EarlyView.
This study investigates strongly orientation‐dependent memristive switching in anisotropic NbOCl2, observed exclusively along the in‐plane c‐axis. The switching originates from direction‐selective oxygen‐ion migration and vacancy propagation that modulate the Pd/NbOCl2 Schottky barrier, enabling short‐term plasticity.
Caokun Wang   +6 more
wiley   +1 more source

Simulating electron transfer on noisy quantum computers. [PDF]

open access: yesNat Commun
Gajewski M   +5 more
europepmc   +1 more source

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