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Density functional theory modeling of chromate adsorption onto ferrihydrite nanoparticles
Density functional theory (DFT) calculations were performed on a model of a ferrihydrite nanoparticle interacting with chromate ([Formula: see text] ) in water. Two configurations each of monodentate and bidentate adsorbed chromate as well as an outer-sphere and a dissolved bichromate ([Formula: see...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5832661/ https://www.ncbi.nlm.nih.gov/pubmed/29497868 http://dx.doi.org/10.1186/s12932-018-0053-8 |