Visualizing hydrogen-induced reshaping and edge activation in MoS2 and Co-promoted MoS2 catalyst clusters

Signe S. Gronborg; Norberto Salazar; Albert Bruix; Jonathan Rodriguez-Fernandez; Sean D. Thomsen; Bjork Hammer; Jeppe V. Lauritsen

doi:10.1038/s41467-018-04615-9

Visualizing hydrogen-induced reshaping and edge activation in MoS₂ and Co-promoted MoS₂ catalyst clusters

Signe S. Gronborg, Norberto Salazar, Albert Bruix, Jonathan Rodriguez-Fernandez, Sean D. Thomsen, Bjork Hammer, Jeppe V. Lauritsen^*

^*Corresponding author af dette arbejde

Publikation: Bidrag til tidsskrift/Konferencebidrag i tidsskrift /Bidrag til avis › Tidsskriftartikel › Forskning › peer review

81 Citationer (Scopus)

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Abstract

Hydrodesulfurization catalysis ensures upgrading and purification of fossil fuels to comply with increasingly strict regulations on S emissions. The future shift toward more diverse and lower-quality crude oil supplies, high in S content, requires attention to improvements of the complex sulfided CoMo catalyst based on a fundamental understanding of its working principles. In this study, we use scanning tunneling microscopy to directly visualize and quantify how reducing conditions transforms both cluster shapes and edge terminations in MoS2 and promoted CoMoS-type hydrodesulfurization catalysts. The reduced catalyst clusters are shown to be terminated with a fractional coverage of sulfur, representative of the catalyst in its active state. By adsorption of a proton-accepting molecular marker, we can furthermore directly evidence the presence of catalytically relevant S-H groups on the Co-promoted edge. The experimentally observed cluster structure is predicted by theory to be identical to the structure present under catalytic working conditions.

Originalsprog	Engelsk
Artikelnummer	2211
Tidsskrift	Nature Communications
Vol/bind	9
Nummer	1
Antal sider	11
ISSN	2041-1723
DOI	https://doi.org/10.1038/s41467-018-04615-9
Status	Udgivet - 7 jun. 2018

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abstract = "Hydrodesulfurization catalysis ensures upgrading and purification of fossil fuels to comply with increasingly strict regulations on S emissions. The future shift toward more diverse and lower-quality crude oil supplies, high in S content, requires attention to improvements of the complex sulfided CoMo catalyst based on a fundamental understanding of its working principles. In this study, we use scanning tunneling microscopy to directly visualize and quantify how reducing conditions transforms both cluster shapes and edge terminations in MoS2 and promoted CoMoS-type hydrodesulfurization catalysts. The reduced catalyst clusters are shown to be terminated with a fractional coverage of sulfur, representative of the catalyst in its active state. By adsorption of a proton-accepting molecular marker, we can furthermore directly evidence the presence of catalytically relevant S-H groups on the Co-promoted edge. The experimentally observed cluster structure is predicted by theory to be identical to the structure present under catalytic working conditions.",

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AU - Rodriguez-Fernandez, Jonathan

AU - Thomsen, Sean D.

AU - Hammer, Bjork

AU - Lauritsen, Jeppe V.

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