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

N.Y. Dzade; Alberto Roldan; Nora H. de Leeuw

doi:10.1021/acs.est.7b00107

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

N.Y. Dzade, Alberto Roldan, Nora H. de Leeuw

School of Chemistry

Research output: Contribution to journal › Article › Academic › peer-review

Original language	English
Pages (from-to)	3461–3470
Journal	Environmental Science and Technology
Volume	51
Issue number	6
DOIs	https://doi.org/10.1021/acs.est.7b00107
Publication status	Published - 24 Feb 2017

Keywords

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

Access to Document

10.1021/acs.est.7b00107

structuresFinal published version, 4.46 MB

Cite this

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

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

author = "N.Y. Dzade and Alberto Roldan and {de Leeuw}, {Nora H.}",

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AU - Dzade, N.Y.

AU - Roldan, Alberto

AU - de Leeuw, Nora H.

PY - 2017/2/24

Y1 - 2017/2/24

KW - Reactive mineral–water interfaces

KW - mackinawite (FeS)

KW - arsenous acid (As(OH)3)

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DO - 10.1021/acs.est.7b00107

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JF - Environmental Science and Technology

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