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Density functional theory study on a nitrogen-rich carbon nitride material C3N5 as photocatalyst for CO2 reduction to C1 and C2 products

Yuelin Wang, Thanh Ngoc Pham, Yu Tian, Yoshitada Morikawa, Li‐Kai Yan

2020Journal of Colloid and Interface Science93 citationsDOI

Topics & Concepts

PhotocatalysisDensity functional theoryHOMO/LUMOBand gapNitrogenGibbs free energyCarbon nitrideNitrideCarbon fibersChemistryLimitingPhotochemistryElectronic structureMaterials scienceMolecular orbitalComputational chemistryNanotechnologyMoleculeCatalysisOptoelectronicsPhysicsOrganic chemistryThermodynamicsComposite materialEngineeringLayer (electronics)Mechanical engineeringComposite numberAdvanced Photocatalysis TechniquesCO2 Reduction Techniques and CatalystsElectronic and Structural Properties of Oxides
Density functional theory study on a nitrogen-rich carbon nitride material C3N5 as photocatalyst for CO2 reduction to C1 and C2 products | Litcius