Results 181 to 190 of about 109,992 (270)

Intrabandgap States Engineering in Functionalized Nanodiamond to Generate Solvated Electrons for Photocatalysis Under Solar Illumination

open access: yesAdvanced Functional Materials, EarlyView.
The negative electron affinity of diamond allows to emit highly reductive electrons. By introducing intra‐bandgap states and an optimized electron transfer mechanism by surface functionalization with Ru(bpy)3, the formation of solvated electrons is achieved upon solar irradiation.
Benjamin Kiendl   +20 more
wiley   +1 more source

Generative artificial intelligence based models optimization towards molecule design enhancement. [PDF]

open access: yesJ Cheminform
Khater T   +7 more
europepmc   +1 more source

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

Switchable Supramolecular Adhesive by Tuning Interfacial Bonding and Modulus

open access: yesAdvanced Functional Materials, EarlyView.
The supramolecular adhesive (HyDiP) shows reversible adhesion and recyclability. In the dehydrated state, it is dense, stiff (E ≈445 MPa), transparent, and provides strong bonding with adhesion strengths up to 4.65 MPa. In the hydrated state, it becomes porous, soft (E ≈0.11 MPa), and detaches easily, enabling sustainable high‐strength applications ...
Rumin Fu   +10 more
wiley   +1 more source

Rational Design of Printable Carbon Nanotube Transparent Conductive Films via Data‐Driven and Mechanistic Insights

open access: yesAdvanced Functional Materials, EarlyView.
A machine learning and simulation‐guided strategy is demonstrated for gentle, non‐sonication dispersion of carbon nanotubes, preserving structural integrity and performance. This approach enables transparent conductive films with low sheet resistance, high transmittance, and sub‐20 µm printability.
Ying Zhou   +7 more
wiley   +1 more source

Dual‐Atom Dopants Activated Ruthenium Single‐Atom Alloy Boosting Hydrogen Evolution Electrocatalysis in Proton Exchange Membrane Water Electrolyzer

open access: yesAdvanced Functional Materials, EarlyView.
Ni1‐Bi1 dual‐atom dopants are achieved for activating Ru lattices without blocking noble atoms. This model exhibits an ultralow overpotential of 11.4 mV and superb stability at 10 mA cm−2 toward hydrogen evolution reaction, enabling a proton exchange membrane water electrolyzer that needs only 2.233 V to reach 3.0 A cm−2 and operates stably at 1.0 A cm−
Shuiping Luo   +17 more
wiley   +1 more source

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