Effect of Different In2O3(111) Surface Terminations on CO2 Adsorption

Sabrina M. Gericke, Minttu M. Kauppinen, Margareta Wagner, Michele Riva, Giada Franceschi, Alvaro Posada-Borbón, Lisa Rämisch, Sebastian Pfaff, Erik Rheinfrank, Alexander M. Imre, Alexei B. Preobrajenski, Stephan Appelfeller, Sara Blomberg, Lindsay R. Merte, Johan Zetterberg, Ulrike Diebold, Henrik Grönbeck, Edvin Lundgren

Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskriftPeer review

Sammanfattning

In2O3-based catalysts have shown high activity and selectivity for CO2 hydrogenation to methanol; however, the origin of the high performance of In2O3 is still unclear. To elucidate the initial steps of CO2 hydrogenation over In2O3, we have combined X-ray photoelectron spectroscopy and density functional theory calculations to study the adsorption of CO2 on the In2O3(111) crystalline surface with different terminations, namely, the stoichiometric, reduced, and hydroxylated surface. The combined approach confirms that the reduction of the surface results in the formation of In adatoms and that water dissociates on the surface at room temperature. A comparison of the experimental spectra and the computed core-level shifts (using methanol and formic acid as benchmark molecules) suggests that CO2 adsorbs as a carbonate on all three surface terminations. We find that the adsorption of CO2 is hindered by hydroxyl groups on the hydroxylated surface.

Originalspråkengelska
Sidor (från-till)45367-45377
Antal sidor11
TidskriftACS Applied Materials and Interfaces
Volym15
Nummer38
DOI
StatusPublished - 2023 sep. 27

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