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The mechanism for CO(2) reduction over Fe-modified Cu(100) surfaces with thermodynamics and kinetics: a DFT study
The adsorption, activation and reduction of CO(2) over Fe(x)/Cu(100) (x = 1–9) surfaces were examined by density functional theory. The most stable structure of CO(2) adsorption on the Fe(x)/Cu(100) surface was realized. The electronic structure analysis showed that the doped Fe improved the adsorpt...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9056627/ https://www.ncbi.nlm.nih.gov/pubmed/35516500 http://dx.doi.org/10.1039/d0ra06319c |