Molybdenum(VI) Adsorption onto Lepidocrocite (γ-FeOOH): In Situ Vibrational Spectroscopy and DFT+U Theoretical Study

In situ polarized ATR-FTIR spectroscopy and the DFT+U calculations were used to investigate the Mo­(VI) ions surface speciation on lepidocrocite. Adsorption of molybdate ions is found to be tetrahedral monodentate binuclear (C 3v ) on the (010) face. DFT+U calculations were performed to help charact...

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Veröffentlicht in:	Journal of physical chemistry. C 2016-06, Vol.120 (22), p.11871-11881
Hauptverfasser:	Davantès, A, Costa, D, Lefèvre, G
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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