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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...
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| Publicado no: | Geochem Trans |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5832661/ https://ncbi.nlm.nih.gov/pubmed/29497868 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s12932-018-0053-8 |
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