Structures and properties of As(OH)3 adsorption complexes on hydrated mackinawite (FeS) surfaces: A DFT-D2 study

Publication date

2017-02-24

Authors

Dzade, Nelson Y.ISNI 0000000453589015
Roldan, Alberto
De Leeuw, Nora H.ISNI 0000000124340366

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Document Type

Article
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Abstract

Keywords

Reactive mineral–water interfaces, mackinawite (FeS), arsenous acid (As(OH)3)

Citation

Dzade, N Y, Roldan, A & de Leeuw, N H 2017, 'Structures and properties of As(OH)3 adsorption complexes on hydrated mackinawite (FeS) surfaces: A DFT-D2 study', Environmental Science and Technology, vol. 51, no. 6, pp. 3461–3470. https://doi.org/10.1021/acs.est.7b00107