CO adsorption on pure, defective and mixed composition AlF 3 and MgF 2 surfaces

AlF 3 and MgF 2 are important catalysts for fluorination processes. In this study we characterise structures consisting of either AlF 3 , or MgF 2 supported over AlF 3 , using Fourier transform infrared spectroscopy of surface absorbed CO. We interpret the results using atomic-scale density function...

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Bibliographic Details
Published in:Catalysis science & technology 2024-06, Vol.14 (11), p.3021-3028
Main Authors: Impellizzeri, A., Dieu, J., Rousseau, J., Brunet, S., Ewels, C. P.
Format: Article
Language:English
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Summary:AlF 3 and MgF 2 are important catalysts for fluorination processes. In this study we characterise structures consisting of either AlF 3 , or MgF 2 supported over AlF 3 , using Fourier transform infrared spectroscopy of surface absorbed CO. We interpret the results using atomic-scale density functional calculations, along with high-resolution electron microscopy and spectroscopy. By coupling theory to vibrational spectroscopy we are able to establish different stable facets in the host species, identifying both surface physisorbed CO binding to pristine facets, and chemisorbed CO binding to fluorine anion vacancy sites. In the case of MgF 2 supported over AlF 3 surfaces we suggest that a 50 : 50 mixed Mg–AlF x monolayer surface phase can form. Excess MgF 2 deposition subsequently results in the formation of MgF 2 nanoparticles on the surface. Mixed composition surface phases may play a critical role in Al/MgF x fluorine catalysis.
ISSN:2044-4753
2044-4761
DOI:10.1039/D4CY00174E