DFT study on the interaction of H2O and O2 with α-Fe2O3 (001) surface
Cuiting Chen, Cuihua Zhao, Xi Zhou, Jianhua Chen, Liang‐Yu Chen, Fangtiancheng Li
Topics & Concepts
AdsorptionMoleculeDensity functional theoryChemistryAtom (system on chip)OxygenPhotocatalysisSurface (topology)CrystallographyComputational chemistryPhysical chemistryChemical physicsPhotochemistryCatalysisOrganic chemistryGeometryEmbedded systemMathematicsComputer scienceIron oxide chemistry and applicationsAdvanced oxidation water treatmentAdvanced Photocatalysis Techniques