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A Computational Study of the Heterogeneous Synthesis of Hydrazine on Co(3)Mo(3)N
ABSTRACT: Periodic and molecular density functional theory calculations have been applied to elucidate the associative mechanism for hydrazine and ammonia synthesis in the gas phase and hydrazine formation on Co(3)Mo(3)N. We find that there are two activation barriers for the associative gas phase m...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer US
2017
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6979644/ https://www.ncbi.nlm.nih.gov/pubmed/32025172 http://dx.doi.org/10.1007/s10562-017-2080-y |