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In-situ NAP-XPS reveals water-induced phase segregation of MoS2 nanoparticles in hydrodeoxygenation catalysis
Interdisciplinary Nanoscience Center (iNANO), Aarhus University, 8000 Aarhus, Denmark.ORCID iD: 0009-0008-1611-7541
Interdisciplinary Nanoscience Center (iNANO), Aarhus University, 8000 Aarhus, Denmark.ORCID iD: 0000-0002-3827-3667
Department of Process and Life Science Engineering, Lund University, 22362 Lund, Sweden.ORCID iD: 0009-0006-1709-2492
Malmö University, Faculty of Technology and Society (TS), Department of Materials Science and Applied Mathematics (MTM).ORCID iD: 0000-0003-1280-6821
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2026 (English)In: Journal of Catalysis, ISSN 0021-9517, E-ISSN 1090-2694, Vol. 455, article id 116705Article in journal (Refereed) Published
Abstract [en]

Hydrodeoxygenation (HDO) is a catalytic process applied for the reduction of oxygen levels in hydrocarbons from bio-derived feedstock as part of the processing into renewable fuel. The MoS2-based hydrotreating catalysts, currently being applied for the HDO reaction, are exposed to a complex environment consisting of O-rich hydrocarbons and water, which adversely impacts the state and stability of the catalyst. Here, we analyze the structural and chemical state changes of MoS2 in HDO-relevant conditions using a combination of surface-sensitive techniques applied to a planar model system consisting of supported and structurally well-defined single-layer MoS2 nanoparticles supported on Au(111). As observed by scanning tunnelling microscopy and near-ambient pressure X-ray photoelectron spectroscopy (NAP-XPS), the exposure to mbar pressure of H2O at 600 K induces clear changes in both the shape and size of the MoS2 nanoparticles, explained by a preferential oxidation and etching of MoS2 edges. MoOx is observed on the surface due to the spatial separation of the oxide and etched sulfide phase. Interestingly, when H2/H2O gas mixtures are applied, the sulfur reduction and oxidation of MoS2 appear to be decoupled, indicating that the removal of edge S species is not a prerequisite for oxidation. Furthermore, the formed MoOx showed a preferred reduction of the oxide over the sulfide. Importantly, the atom-resolved imaging reveals that the progressive etching and phase segregation of MoS2 maintains access to pristine edge sites of the single-layer MoS2, explaining why HDO activity can be maintained even for highly oxidized catalysts.

Place, publisher, year, edition, pages
Academic Press Inc. , 2026. Vol. 455, article id 116705
Keywords [en]
Bio-oil, Catalyst poisoning, Catalyst stability, Hydrodeoxygenation (HDO), Molybdenum sulfide (MoS2), Near-ambient pressure X-ray photoelectron spectroscopy (NAP-XPS)
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:mau:diva-82614DOI: 10.1016/j.jcat.2026.116705ISI: 001679955100001Scopus ID: 2-s2.0-105028628458OAI: oai:DiVA.org:mau-82614DiVA, id: diva2:2037227
Funder
Swedish Research CouncilSwedish Research CouncilIndependent Research Fund DenmarkIndependent Research Fund DenmarkAvailable from: 2026-02-10 Created: 2026-02-10 Last updated: 2026-02-23Bibliographically approved

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Gajdek, DoroteaMerte, Lindsay R.

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Hedevang, MartinMohrhusen, LarsHallböök, FilipGajdek, DoroteaMerte, Lindsay R.Lauritsen, Jeppe V.
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