Understanding surface structures of In2O3 catalysts during CO2 hydrogenation reaction using time-resolved IR, XPS with in situ treatment, and DFT calculations
Applied Surface Science(2023)
Abstract
•In situ calibrated assignments to carbon and oxygen species of in situ IR and XPS.•Correlating the O 1 s bonding energies of In2O3 surface with both in situ XPS and DFT.•Reveal the surface structures of important O species on In2O3 for CO2 hydrogenation.•Formation of Ov does not induce new feature to O1s binding energy.•CO2 exposure induced carbonates formation on In2O3 replaces the original hydroxyl.
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Key words
Methanol synthesis,In2O3,Surface catalysis,CO2 hydrogenation,In situ spectroscopy,DFT
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