Mechanism of CO2 adsorption on point-defective MgO surfaces: First-principles study
Guocai Lv, Changli Zhu, Hao Zhang, Ye Su, Ping Qian
Topics & Concepts
PhysisorptionVacancy defectChemisorptionDensity functional theoryAdsorptionAtom (system on chip)Orbital hybridisationOxideChemistryDopantChemical bondDopingCrystallographyPopulationMaterials sciencePhysical chemistryComputational chemistryMolecular orbitalMolecular orbital theoryMoleculeOrganic chemistryOptoelectronicsSociologyDemographyComputer scienceEmbedded systemLayered Double Hydroxides Synthesis and ApplicationsCarbon Dioxide Capture TechnologiesMagnesium Oxide Properties and Applications