Single Mo Atom Supported on Defective Boron Nitride Monolayer as an Efficient Electrocatalyst for Nitrogen Fixation: A Computational Study.
The production of ammonia (NH) from molecular dinitrogen (N) under mild conditions is one of the most attractive and challenging processes in chemistry. Here by means of density functional theory (DFT) computations, we systematically investigated the potential of single transition metal atoms (Sc to...
| Publicado en: | Journal of the American Chemical Society Vol. 139; no. 36; pp. 12480 - 12488 |
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| Autores principales: | , |
| Formato: | Artículo |
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American Chemical Society
9/13/2017
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| Acceso en línea: | Ver este registro en EBSCOhost |