Results 171 to 180 of about 86,230 (265)

Integrating Machine Learning With Constant‐Potential Simulation to Unravel Charge‐Transfer Mechanisms in Electrochemical Nitrogen Fixation

open access: yesAdvanced Science, EarlyView.
Integrating interpretable machine learning with the fixed‐potential method reveals a novel mechanism: the catalytic activity of the electrochemical nitrogen reduction reaction is governed by partial charge transfer, induced by variations in the intermediate potential of zero charge under constant potential.
Yufei Xue   +6 more
wiley   +1 more source

Two‐Dimensional Triferroics: From Fundamental Couplings to Multifunctional Applications

open access: yesAdvanced Science, EarlyView.
This graphic summarizes the three main types of currently reported 2D triferroic couplings. From the structural perspective, existing systems can be broadly classified into two categories, which exhibit distinct symmetry features and coupling behaviors. Beyond the lattice difference, a third type involves the interplay among ferroelectricity, magnetism,
Yang Li, Jialin Gong, Zhiqing Li
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

Efficacy and Safety of Transcranial Magnetic Stimulation (TMS) for Treatment of Major Depression in Parkinson’s Disease patient with MR-Compatible Deep Brain Stimulation (DBS) Electrodes

open access: yesBrain Stimulation
Thomas Malone   +7 more
doaj   +1 more source

Personalized fMRI-Guided TMS Targeting the Threat Neurocircuitry in PTSD: A Randomized Clinical Trial. [PDF]

open access: yesAm J Psychiatry
van Rooij SJH   +20 more
europepmc   +1 more source

Fundamentals of Thermal Transport and Energy Conversion in Ultra‐High Temperature Ceramics: From Microscale Mechanisms to Macroscopic Properties

open access: yesAdvanced Science, EarlyView.
This review critically examines thermal transport and radiative properties of ultra‐high temperature ceramics for hypersonic flight, advanced nuclear systems, and next‐generation energy conversion devices. It explores phonon–photon–electron interactions, microstructural engineering, thermoelectric conversion, and machine learning‐accelerated multiscale
Zhipeng Pei   +8 more
wiley   +1 more source

Trace Ru‐Doped PtCuRu@PtRu Core‐Shell Electrocatalyst for CO‐Resilient Methanol Oxidation

open access: yesAdvanced Science, EarlyView.
We engineered a trace Ru‐doped PtCuRu@PtRu core‐shell nanostructure. This design exploits lattice mismatch‐induced compressive strain between the PtCuRu ternary core and trace Ru‐doped Pt‐rich shell, systematically downshifting the Pt d‐band center to weaken *CO adsorption energetics.
Tianrui Xue   +7 more
wiley   +1 more source

Home - About - Disclaimer - Privacy