ATR-FTIR and density functional theory study of the structures, energetics, and vibrational spectra of phosphate adsorbed onto goethite
Periodic plane-wave density functional theory (DFT) and molecular cluster hybrid molecular orbital-DFT (MO-DFT) calculations were performed on models of phosphate surface complexes on the (100), (010), (001), (101), and (210) surfaces of α-FeOOH (goethite). Binding energies of monodentate and bident...
Ausführliche Beschreibung
Bibliographische Detailangaben
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1992. - 28(2012), 41 vom: 16. Okt., Seite 14573-87
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| 1. Verfasser: |
Kubicki, James D
(VerfasserIn) |
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| Weitere Verfasser: |
Paul, Kristian W,
Kabalan, Lara,
Zhu, Qing,
Mrozik, Michael K,
Aryanpour, Masoud,
Pierre-Louis, Andro-Marc,
Strongin, Daniel R |
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| Format: | Online-Aufsatz
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| Sprache: | English |
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| Veröffentlicht: |
2012
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids
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| Schlagworte: | Journal Article
Research Support, U.S. Gov't, Non-P.H.S.
Iron Compounds
Minerals
Phosphates
goethite
1310-14-1 |
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