Adsorption of Glycine on TiO2 in Water from On-the-fly Free-Energy Calculations and In Situ Electrochemical Impedance Spectroscopy
We report here an experimental-computational study of hydrated TiO2 anatase nanoparticles interacting with glycine, where we obtain quantitative agreement of the measured adsorption free energies. Ab initio simulations are performed within the tight binding and density functional theory in combinati...
Ausführliche Beschreibung
Bibliographische Detailangaben
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1992. - 40(2024), 23 vom: 11. Juni, Seite 12009-12016
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| 1. Verfasser: |
Agosta, Lorenzo
(VerfasserIn) |
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| Weitere Verfasser: |
Fiore, Luca,
Colozza, Noemi,
Pérez-Ropero, Guillermo,
Lyubartsev, Alexander,
Arduini, Fabiana,
Hermansson, Kersti |
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| Format: | Online-Aufsatz
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| Sprache: | English |
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| Veröffentlicht: |
2024
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids
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| Schlagworte: | Journal Article |
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