Results 211 to 220 of about 484,592 (357)

Impact of Octahedral Aluminum Sites on Guest Molecule Adsorption in Zeolites: A Computational Study of 5‐Fluorouracil in Zeolite FAU

open access: yesChemistry – A European Journal, Volume 31, Issue 32, June 6, 2025.
Dispersion‐corrected density functional theory (DFT) calculations shed light on the interaction of the anticancer drug 5‐fluorouracil (5‐FU) with a framework‐associated octahedral aluminum site in a FAU‐type zeolite. The calculations help to explain the experimental observation of a limited 5‐FU release from zeolite samples containing such sites ...
Michael Fischer
wiley   +1 more source

Imaging Photonic Resonances within an All‐Dielectric Metasurface via Photoelectron Emission Microscopy

open access: yesAdvanced Photonics Research, Volume 6, Issue 6, June 2025.
Photonic resonances within a dielectric metasurface are investigated using photoelectron emission microscopy (PEEM) and finite‐difference time‐domain simulations. An electron inelastic mean free path of 35 ± 10 nm is extracted from comparisons between microscopy and simulations.
Andrew R. Kim   +9 more
wiley   +1 more source

Unraveling the Interfacial Properties of Twisted Single‐Crystal Au(111)/MoS2 Heterostructures: A Pathway to Robust Superlubricity

open access: yesAdvanced Science, Volume 12, Issue 21, June 5, 2025.
Interfacial mechanical properties of MoS2/Au(111) heterostructures are revealed by advanced experimental and computational methods. The developed semi‐anisotropic interlayer potential (SAIP) accurately predicts moiré‐driven out‐of‐plane corrugation, aligning with experimental observations.
Yuanpeng Yao   +9 more
wiley   +1 more source

Machine Learning‐Assisted Simulations and Predictions for Battery Interfaces

open access: yesAdvanced Intelligent Systems, Volume 7, Issue 6, June 2025.
This review summarizes machine learning (ML)‐assisted simulations and predictions at battery interfaces. It highlights how employing ML algorithms with machine vision, enables the lithium dendrite growth simulation, the solid–electrolyte interphase formation, and other interfacial dynamics.
Zhaojun Sun   +4 more
wiley   +1 more source

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