Structure–function evolution of transition metal molybdate catalysts driven by hydrodeoxygenation environment

Báfero, Gabriel B., Strapasson, Guilherme B., Sousa, Leonardo S., Hayward, James S., Nunes, Pedro B. M., Leite, Davi S., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Bartley, Jonathan K. ORCID: https://orcid.org/0000-0003-4640-541X and Zanchet, Daniela 2026. Structure–function evolution of transition metal molybdate catalysts driven by hydrodeoxygenation environment. EES Catalysis 4 (4) , pp. 995-1011. 10.1039/d5ey00359h

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Abstract

Bulk mixed metal oxides are increasingly explored as sustainable catalysts, yet their behaviour under hydrodeoxygenation (HDO) environments remains poorly understood. Here, we reveal how first-row transition metal molybdates (MMo, M = Mn, Fe, Co, Cu, Zn) undergo metal-dependent restructuring under acetone HDO, leading to the emergence of functional Mo-rich phases with distinct redox and catalytic properties. Catalytic testing combined with comprehensive post-reaction characterization shows that HDO conditions promote the formation of substoichiometric molybdenum species (MoOxCy) whose abundance and distribution are governed by the reducibility of the incorporated metal. These dynamically generated phases promote efficient deoxygenation through multiple pathways and explain the broad reactivity trends across the MMo series. Our findings demonstrate that hydrodeoxygenation can direct the self-assembly of transition metal molybdates into catalytically versatile architectures, providing generalizable principles for designing redox-active oxide catalysts for biomass valorization and other oxygen-rich feedstocks.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Schools > Chemistry Research Institutes & Centres > Cardiff Catalysis Institute (CCI)
Additional Information:	License information from Publisher: LICENSE 1: URL: https://creativecommons.org/licenses/by-nc/3.0/, Start Date: 2026-04-27
Publisher:	Royal Society of Chemistry
Date of First Compliant Deposit:	5 May 2026
Date of Acceptance:	26 February 2026
Last Modified:	07 Aug 2026 22:17
URI:	https://orca.cardiff.ac.uk/id/eprint/186762

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