Results 271 to 280 of about 1,437,304 (362)

Bridging Theory and Experiment: Machine Learning Potential‐Driven Insights into pH‐Dependent CO₂ Reduction on Sn‐Based Catalysts

open access: yesAdvanced Functional Materials, EarlyView.
Machine learning potential (MLP) enables large‐scale molecular dynamics (MD) simulations, uncovering dynamic surface reconstruction of SnO₂ and SnS₂ under CO₂ reduction reaction condition. The negative dipole moments upon *OCHO adsorption are the primary factors driving the leftward shift of the volcano plot.
Yuhang Wang   +9 more
wiley   +1 more source

High harmonic spectroscopy reveals anisotropy of the charge-density-wave phase transition in TiSe<sub>2</sub>. [PDF]

open access: yesCommun Mater
Tyulnev I   +10 more
europepmc   +1 more source

Accelerated Discovery of High‐Performance PCFC Cathodes: Computational‐Experimental Optimization of Cobalt‐Substituted Ba0.95La0.05FeO3‐δ

open access: yesAdvanced Functional Materials, EarlyView.
An integrated computational–experimental strategy accelerates the discovery of high‐performance PCFC cathodes. Computational screening using machine learning interatomic potentials and targeted experiments identifies optimal cobalt substitution in Ba0.95La0.05FeO3‐δ, reducing area‐specific resistance by 58% at 500 °C.
Abdullah Tahir   +4 more
wiley   +1 more source

Thiol‐Modulation‐Induced Mesoporous Nanosheets with an Alloy/Intermetallic Heterophase for Efficient Electrochemical Ethylene Glycol‐Assisted Water Splitting

open access: yesAdvanced Functional Materials, EarlyView.
Sulfur‐capped mesoporous PtPbBi nanosheets (S‐PtPbBi MNSs) with an alloy/intermetallic compound heterophase and inhomogeneous tensile strain (≈3%) were synthesized by a thiol modification strategy, which exhibited excellent electrocatalytic performance for ethylene glycol oxidation reaction (EGOR).
Fukai Feng   +14 more
wiley   +1 more source

Modulating Oxide‐Based Quantum Materials by Ion Implantation

open access: yesAdvanced Functional Materials, EarlyView.
This review highlights how ion implantation, a well developed chip‐technology, enables targeted modulation of oxide‐based quantum materials. This includes tuning of metal‐insulator transitions, magnetism, and superconductivity through selective doping, defect creation, and induced lattice strain. Abstract Ion implantation has emerged as a powerful tool
Andreas Herklotz   +2 more
wiley   +1 more source

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