Ab Initio Molecular Dynamics of Uranium Incorporated in Goethite (α-FeOOH): Interpretation of X‑ray Absorption Spectroscopy of Trace Polyvalent Metals

Incorporation of economically or environmentally consequential polyvalent metals into iron (oxyhydr)­oxides has applications in environmental chemistry, remediation, and materials science. A primary tool for characterizing the local coordination environment of such metals, and therefore building mod...

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Veröffentlicht in:	Inorganic chemistry 2016-11, Vol.55 (22), p.11736-11746
Hauptverfasser:	Kerisit, Sebastien, Bylaska, Eric J, Massey, Michael S, McBriarty, Martin E, Ilton, Eugene S
Format:	Artikel
Sprache:	eng
Schlagworte:	Environmental Molecular Sciences Laboratory INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY MATERIALS SCIENCE
Online-Zugang:	Volltext
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