Assessing the usefulness of transition metal carbides for hydrogenation reactions
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 -MoC as viable alternative cata...
| Autores: | , , , , , |
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| Formato: | artículo |
| Estado: | Versión aceptada para publicación |
| Fecha de publicación: | 2019 |
| País: | España |
| Recursos: | Universidad de Barcelona |
| Repositorio: | Dipòsit Digital de la UB |
| OAI Identifier: | oai:diposit.ub.edu:2445/165743 |
| Acesso em linha: | https://hdl.handle.net/2445/165743 |
| Access Level: | acceso abierto |
| Palavra-chave: | Carburs Titani Adsorció Catàlisi Carbides Titanium Adsorption Catalysis |
| Resumo: | 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 -MoC as viable alternative catalysts to TMs for so, given the moderate exoergicity and affordable reaction step energy barriers. |
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