Unraveling the Surface Chemistry in Ni/La-Ceria Catalysts for the Reverse Water-Gas Shift Reaction

Reindl S, Lustemberg PG, Bachiller-Baeza B, Capel-Sanchez MC, Schötz S, Libuda J, Lykhach Y, Ganduglia-Pirovano MV, Alvarez-Galvan C, Retzer T (2026)

Publication Type: Journal article

Publication year: 2026

Journal

Book Volume: 16

Pages Range: 11034-11047

Journal Issue: 12

DOI: 10.1021/acscatal.6c00338

Abstract

The reverse water–gas shift (RWGS) reaction is critical for efficient CO2 utilization in thermochemical conversion processes. Here, we investigate how lanthanum (La) doping modulates the redox properties of Ni/CeO2 catalysts and influences their RWGS performance. Using a combination of catalytic testing, operando diffuse reflectance infrared Fourier transform spectroscopy, and density functional theory calculations, we identify key surface intermediates and establish composition–activity relationships. CO2 initially adsorbs as bicarbonate species preferentially stabilized at oxygen vacancies, which subsequently convert to formates, the dominant intermediates under RWGS conditions. Methoxy and dioxymethylene species serve as spectroscopic markers for Ce⁴⁺ and Ce³⁺/oxygen vacancy sites, respectively. Notably, catalysts with intermediate La loading exhibit the highest CO selectivity due to an optimal balance between oxygen vacancy formation and redox flexibility. These results reveal a direct link between catalyst redox state and RWGS activity, underscoring the value of rational dopant design. La incorporation thus offers a viable strategy to enhance the performance of Ni/CeO2-based catalysts for CO2 conversion.

Authors with CRIS profile

Involved external institutions

Instituto de Catálisis y Petroleoquímica (ICP) Spain (ES)

How to cite

APA:

Reindl, S., Lustemberg, P.G., Bachiller-Baeza, B., Capel-Sanchez, M.C., Schötz, S., Libuda, J.,... Retzer, T. (2026). Unraveling the Surface Chemistry in Ni/La-Ceria Catalysts for the Reverse Water-Gas Shift Reaction. ACS Catalysis, 16(12), 11034-11047. https://doi.org/10.1021/acscatal.6c00338

MLA:

Reindl, Simone, et al. "Unraveling the Surface Chemistry in Ni/La-Ceria Catalysts for the Reverse Water-Gas Shift Reaction." ACS Catalysis 16.12 (2026): 11034-11047.

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