Results 191 to 200 of about 28,002 (293)

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

open access: yesAdvanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi   +2 more
wiley   +1 more source

Transparent UV‐Curable Self‐Sanitizing Coatings Applicable to Diverse Surfaces and High‐Touch Screens to Mitigate Deadly Pathogen Transmission

open access: yesAdvanced Functional Materials, EarlyView.
Development of a transparent, self‐sanitizing antimicrobial coating technology applicable to a wide range of materials and surfaces‐including touchscreens, transparent substrates, and metal, plastic, and glass‐regardless of pathogen type. The spray‐coated, UV‐cross‐linked imidazole‐based quaternary ammonium chloride materials provide broad‐spectrum ...
Surjith Kumaran   +6 more
wiley   +1 more source

PRELIVE: A Framework for Predicting Lipid Nanoparticles In Vivo Efficacy and Reducing Reliance on Animal Testing

open access: yesAdvanced Functional Materials, EarlyView.
PREdicting LNP In Vivo Efficacy (PRELIVE) framework enables the prediction of lipid nanoparticle (LNPs) organ‐specific delivery through dual modeling approaches. Composition‐based models using formulation parameters and protein corona‐based models using biological fingerprints both achieve high predictive accuracy across multiple organs.
Belal I. Hanafy   +3 more
wiley   +1 more source

Modulating Interfacial Potential Gradients in Metal−Carbon Catalysts via Phase‐Engineering for Lithium–Sulfur Batteries

open access: yesAdvanced Functional Materials, EarlyView.
It is elucidated that phase engineering of cobalt modulates the interfacial potential gradients of cobalt–carbon electrocatalysts, enhancing the intrinsic electrocatalytic performance. Modulating the dominant crystalline phase of cobalt from a hexagonal close‐packed to a face‐centered cubic enriches the electron density of carbon shells, thereby ...
Ji‐Oh Kim   +13 more
wiley   +1 more source

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