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...

Descripción completa

Detalles Bibliográficos
Autores principales: Kubicki, James D., Kabengi, Nadine, Chrysochoou, Maria, Bompoti, Nefeli
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2018
Materias:
Research Article
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

Internet

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

Ejemplares similares