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The Adsorption Behaviors of CO and H(2) to FeO onto CaO Surfaces: A Density Functional Theory Study
The adsorption behaviors of CO and H(2) to FeO onto CaO surfaces have been studied using the density functional theory (DFT) to determine the reactions of FeO by CO and H(2). The adsorption mechanisms of FeO clusters on the CaO(100) and CaO(110) surfaces were calculated first. The structure of the C...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10458349/ https://www.ncbi.nlm.nih.gov/pubmed/37630223 http://dx.doi.org/10.3390/molecules28165971 |