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Structures and Properties of As(OH)(3) Adsorption Complexes on Hydrated Mackinawite (FeS) Surfaces: A DFT-D2 Study

[Image: see text] Reactive mineral–water interfaces exert control on the bioavailability of contaminant arsenic species in natural aqueous systems. However, the ability to accurately predict As surface complexation is limited by the lack of molecular-level understanding of As–water–mineral interacti...

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Publicat a:Environ Sci Technol
Autors principals: Dzade, Nelson Y., Roldan, Alberto, de Leeuw, Nora H.
Format: Artigo
Idioma:Inglês
Publicat: American Chemical Society 2017
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC5362745/
https://ncbi.nlm.nih.gov/pubmed/28233994
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.est.7b00107
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