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http://hdl.handle.net/10553/74961
| Título: | An intensified π-hole in beryllium-doped boron nitride meshes: its determinant role in CO2 conversion into hydrocarbon fuels | Autores/as: | Azofra Mesa, Luis Miguel MacFarlane, Douglas R. Sun, Chenghua |
Clasificación UNESCO: | 2307 Química física | Fecha de publicación: | 2016 | Publicación seriada: | Chemical Communications | Resumen: | DFT investigations on beryllium-doped boron nitride meshes or sheets (BNs) predict the existence of a very reactive kind of novel material capable of spontaneously reducing the first hydrogenation step in the CO2 conversion mechanism. This impressive behaviour appears as a result of the very deep π-hole generated by the beryllium moieties, and also determines its selectivity towards the production of CH4. | URI: | http://hdl.handle.net/10553/74961 | ISSN: | 1359-7345 | DOI: | 10.1039/C5CC07942J | Fuente: | Chemical communications [ISSN 1359-7345], v. 52, p. 3548-3551 |
| Colección: | Artículos |
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