The adsorption thermodynamics of H2O and CO2 on PuO2(1 1 1) surface: A comparative study based on DFT+U-D3
Le Zhang, Bo Sun, Qili Zhang, Haifeng Liu, Kezhao Liu, Haifeng Song
Topics & Concepts
AdsorptionMonolayerThermodynamicsDissociation (chemistry)DesorptionMoleculeFreundlich equationHydrogen bondChemistryChemical physicsIntermolecular forcePhysical chemistryMaterials scienceNanotechnologyOrganic chemistryPhysicsCarbon Dioxide Capture TechnologiesNuclear Materials and PropertiesCatalytic Processes in Materials Science