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Theoretical insights into the electroreduction mechanism of N(2) to NH(3) from an improved Au(111)/H(2)O interface model
An improved H coverage-dependent Au(111)/H(2)O electrochemical interface model is proposed in this paper, which is firstly used to study electroreduction mechanisms of N(2) into NH(3) at the thermodynamical equilibrium potential in cooperation with electronic structure analysis. The results show tha...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9033219/ https://www.ncbi.nlm.nih.gov/pubmed/35480174 http://dx.doi.org/10.1039/d1ra01978c |