Results 221 to 230 of about 3,086,920 (343)

Framework Flexibility on Water Sorption and Transport in ZIF‐90: Insights from Neural‐Network Molecular Dynamics

open access: yesAdvanced Materials Interfaces, EarlyView.
A DeepMD‐based molecular dynamics framework is developed to investigate water adsorption in ZIF‐90, explicitly accounting for framework flexibility. Results show that atomistic flexibility significantly influences adsorption energetics, diffusion, and structural correlations, yielding nearly constant heat of adsorption and enhanced mobility.
Nick Mackus   +3 more
wiley   +1 more source

Defect‐Driven Charge Separation in Ba‐Doped SrTiO3: Correlating Photoelectrochemical Performance With Dye‐Selective Photocatalysis

open access: yesAdvanced Materials Interfaces, EarlyView.
Ba‐doped SrTiO3 perovskites establish a direct correlation between photoelectrochemical activity and photocatalytic performance. Optimized Ba0.5Sr0.5TiO3 exhibits enhanced charge separation, photocurrent generation, and visible‐light‐driven dye degradation through defect‐induced oxygen vacancies and lattice distortion.
Sagar A. Nikam   +6 more
wiley   +1 more source

Sustainable Plant‐Based Water Repellent Coatings Using Hydrophobic Pine and Palm Pollen

open access: yesAdvanced Materials Interfaces, EarlyView.
A novel formulation strategy for creating superhydrophobic coatings using plant‐derived waxes and chemically treated pine and palm pollen. By employing acid modification, the hydrophobicity of the pollen surface is enhanced, resulting in water contact angles exceeding 150°.
Brenda Resendiz‐Diaz   +2 more
wiley   +1 more source

Imide Substitution Drives the Supramolecular Assembly of Perylene Diimide Into Laterally Modulated Metallic/Semiconducting Molecular Patterns

open access: yesAdvanced Materials Interfaces, EarlyView.
Imide substitution with bulky 2,6‐isopropylphenyl groups induces perylene diimide to self‐assemble on Ag(111) into a monolayer with two coexisting adsorption heights. Molecules closer to the substrate gain metallic character due to charge transfer from the metal, while farther ones remain decoupled and semiconducting.
Giacomo Agnesod   +12 more
wiley   +1 more source

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