Results 251 to 260 of about 52,265 (308)

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

open access: yesAdvanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu   +5 more
wiley   +1 more source

Atomic Interlayer Mo–N4 Sites Enable Rapid Charge Transfer and Efficient CO2 Photoreduction

open access: yesAdvanced Science, EarlyView.
This work achieved efficient CO2 activation and ultrafast interlayer electron transport in a 2D COF by constructing atomic‐level Mo‐N4‐induced interlayer electron bridges (IEB), thereby kinetically and thermodynamically co‐driving the photocatalytic coupling of CO2 reduction with 4‐methoxybenzyl alcohol oxidation.
Lijuan Sun   +9 more
wiley   +1 more source

Ultra-Efficient Saline Soil Remediation with Passive Multistage Solar Distiller via Water Recycling. [PDF]

open access: yesNanomicro Lett
Li J   +10 more
europepmc   +1 more source

Beyond Water: Deep Eutectic Solvents Enable Dye-Sensitised Photocatalytic Hydrogen Production. [PDF]

open access: yesChemSusChem
Boldrini CL   +8 more
europepmc   +1 more source

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