Please use this identifier to cite or link to this item:
http://hdl.handle.net/2445/165743
Title: | Assessing the usefulness of transition metal carbides for hydrogenation reactions |
Author: | Prats Garcia, Hèctor Piñero, Juan José Viñes Solana, Francesc Bromley, Stefan Thomas Sayós Ortega, Ramón Illas i Riera, Francesc |
Keywords: | Carburs Titani Adsorció Catàlisi Carbides Titanium Adsorption Catalysis |
Issue Date: | 30-Sep-2019 |
Publisher: | Royal Society of Chemistry |
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. |
Note: | Versió postprint del document publicat a: https://doi.org/10.1039/c9cc06084g |
It is part of: | Chemical Communications, 2019, vol. 55, num. 85, p. 12797-12800 |
URI: | http://hdl.handle.net/2445/165743 |
Related resource: | https://doi.org/10.1039/c9cc06084g |
ISSN: | 1359-7345 |
Appears in Collections: | Articles publicats en revistes (Ciència dels Materials i Química Física) |
Files in This Item:
File | Description | Size | Format | |
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694295.pdf | 2.52 MB | Adobe PDF | View/Open |
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