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2019-09-30

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Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/165743

Assessing the usefulness of transition metal carbides for hydrogenation reactions

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https://doi.org/10.1039/c9cc06084g

Abstract

Transition Metal Carbides (TMCs) are proposed to replace scarce and expensive late Transition Metals (TMs) as heterogeneous catalysts, often implying hydrogenation reactions or steps. Present density functional theory based calculations support using group IV TMCs and 𝜹-MoC as viable alternative catalysts to TMs for so, given the moderate exoergicity and affordable reaction step energy barriers.

Subject

Carburs, Titani, Adsorció, Catàlisi

Subject (English)

Carbides, Titanium, Adsorption, Catalysis

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Articles publicats en revistes (Ciència dels Materials i Química Física)

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PRATS GARCIA, Hèctor, et al. Assessing the usefulness of transition metal carbides for hydrogenation reactions. Chemical Communications. 2019. Vol. 55, num. 85, pags. 12797-12800. ISSN 1359-7345. [consulted: 14 of June of 2026]. Available at: https://hdl.handle.net/2445/165743

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