Journal of Materials Chemistry A · 2023 · 16 citations · 39 references
Natural SciencesChemistryMaterials ScienceCatalysisMaterials ChemistryOrganic ChemistryCatalytic MaterialsPhotocatalysisPhotochemical KineticsPhotochemistryPhotoelectrochemical MaterialsRedox-active MaterialsBand GapCatalytic Activity EnhancementNanostructured PhotocatalystsOptical Band GapOrganic Pollutant DegradationPhotocatalyst DesignPhotocatalytic MaterialsPhotochemical Functionalization
Inert Cu 2 O cubes become highly active toward dye photodegradation after 4-cyanophenylacetylene functionalization as shown from the emergence of a 4-CNA-derived band in the Cu 2 O band gap. Functionalization also boosts photocatalytic arylboronic acid hydroxylation.
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Improved grid‐based algorithm for Bader charge allocation
Edward Sanville, S.D. Kenny, Roger Smith et al. · Journal of Computational Chemistry · 2007 · 4.2K citations · Full text