Initial oxidation of 3C-SiC (111) in oxidizing atmosphere containing water vapor: H2O adsorption from first-principles calculations
Pengfei Zhang, Yulei Zhang
Topics & Concepts
Dissociation (chemistry)AdsorptionMaterials scienceElectronegativityMoleculeDensity functional theoryOxidizing agentRadicalBond-dissociation energyPhysical chemistryHydrogen bondMulliken population analysisChemical physicsCrystallographyComputational chemistryChemistryOrganic chemistrySemiconductor materials and devicesAdvanced ceramic materials synthesisSilicon Carbide Semiconductor Technologies