Density functional theory calculations on single atomic catalysis: Ti-decorated Ti3C2O2 monolayer (MXene) for HCHO oxidation
Junhui Zhou, Guanlan Liu, Quanguo Jiang, Weina Zhao, Zhimin Ao, Taicheng An
Topics & Concepts
MonolayerCatalysisFormaldehydeNoble metalChemistryAdsorptionPhotochemistryMoleculeDensity functional theoryAtom (system on chip)Physical chemistryComputational chemistryOrganic chemistryBiochemistryComputer scienceEmbedded systemMXene and MAX Phase MaterialsAdvanced Photocatalysis Techniques2D Materials and Applications