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Prediction of Structural and Electronic Properties of C and Cl(2) Adsorbed on the Rutile TiO(2) (110) Surface
[Image: see text] The study of the adsorption mechanism of C and Cl(2) on the TiO(2) (110) surface is of great significance for the formulation of the technological parameters in the fluidized chlorination process. Based on the first-principles calculations of density functional theory, the co-adsor...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7675542/ https://www.ncbi.nlm.nih.gov/pubmed/33225131 http://dx.doi.org/10.1021/acsomega.0c03368 |