Reactivity of surface oxygen vacancy sites and frustrated Lewis acid–base pairs of In<sub>2</sub>O<sub>3</sub> catalysts in CO<sub>2</sub> hydrogenation
Zhangqian Wei, Shenggang Li, Peng Gao
Abstract
The effects of V O formation energies and surface frustrated Lewis acid–base pairs on CO 2 hydrogenation over In 2 O 3 catalysts were studied using DFT calculations.
Topics & Concepts
CatalysisLewis acids and basesFrustrated Lewis pairReactivity (psychology)Vacancy defectDensity functional theoryOxygenBase (topology)ChemistryMaterials scienceCrystallographyComputational chemistryOrganic chemistryAlternative medicineMedicineMathematical analysisPathologyMathematicsCatalytic Processes in Materials ScienceCarbon Dioxide Capture TechnologiesCatalysis and Oxidation Reactions