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Edvin Lundgren. Portrait.

Edvin Lundgren

Professor

Edvin Lundgren. Portrait.

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

Author

  • 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
Show all

Summary, in English

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.

Department/s

  • LU Profile Area: Light and Materials
  • Combustion Physics
  • LTH Profile Area: The Energy Transition
  • MAX IV, SMS
  • MAX IV Laboratory
  • LTH Profile Area: Nanoscience and Semiconductor Technology
  • Chemical Engineering (M.Sc.Eng.)
  • NanoLund: Centre for Nanoscience
  • Division of Chemical Engineering
  • LTH Profile Area: Photon Science and Technology
  • Synchrotron Radiation Research

Publishing year

2023-09-27

Language

English

Pages

45367-45377

Publication/Series

ACS Applied Materials and Interfaces

Volume

15

Issue

38

Document type

Journal article

Publisher

The American Chemical Society (ACS)

Topic

  • Inorganic Chemistry

Keywords

  • CO adsorption
  • core-level shifts
  • density functional theory
  • heterogeneous catalysis
  • indium oxide
  • methanol synthesis
  • X-ray photoelectron spectroscopy

Status

Published

ISBN/ISSN/Other

  • ISSN: 1944-8244