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Ceria loaded with noble metals (Cu, Au) is a highly active material for the low-temperature water-gas shift reaction (LT-WGSR), but nevertheless details of the metal support interaction as well as the role of the ceria surface termination and the metal loading are still unclear. Using operando Raman and UV/Vis spectroscopy combined with theoretical density functional theory (DFT) calculations, we aim at a molecular-level understanding of LT-WGSR catalysts. In particular, by using this combined approach, we are able to draw conclusions about the reducibility state of the ceria support during reaction conditions. Our results show that the defect formation energy of the support does not play a major role for the WGSR, but rather other reaction steps such as the dissociation of water or the desorption of CO₂.

Presented at the 1st International Electronic Conference on Catalysis Sciences, 10–30 November 2020; Available online: https://eccs2020.sciforum.net