Acetylacetone, an interesting anchoring group for ZnO-based organic-inorganic hybrid materials : a combined experimental and theoretical study
Acetylacetone (acacH) adsorption on ZnO (10-10) surface has been studied by a theoretical periodic approach using density functional theory. Two dissociative adsorption modes were investigated and compared to the most stable adsorption mode of formic acid. Acetylacetone appears as a suitable anchori...
| Veröffentlicht in: | Langmuir : the ACS journal of surfaces and colloids. - 1992. - 27(2011), 7 vom: 05. Apr., Seite 3442-50 |
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| 1. Verfasser: | |
| Weitere Verfasser: | , , , |
| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2011
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| Zugriff auf das übergeordnete Werk: | Langmuir : the ACS journal of surfaces and colloids |
| Schlagworte: | Journal Article |
| Zusammenfassung: | Acetylacetone (acacH) adsorption on ZnO (10-10) surface has been studied by a theoretical periodic approach using density functional theory. Two dissociative adsorption modes were investigated and compared to the most stable adsorption mode of formic acid. Acetylacetone appears as a suitable anchoring group for hybrid materials, with adsorption energies of the same order of magnitude as formic acid. IR spectra of the acac/ZnO systems were computed in order to determine the spectral signature of adsorption and, possibly, of each adsorption mode to follow the coordination of acac on ZnO at the experimental level. The results have been compared to Fourier transform infrared (attenuated total reflection-IR) experimental spectra. The present investigation points out the interest of acetylacetone as an anchoring group for the development of new ZnO-based functionalized hybrid layers for corrosion protection, light emitting diodes, photocatalytic systems, and dye-sensitized solar cells |
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| Beschreibung: | Date Completed 13.07.2011 Date Revised 30.03.2011 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
| ISSN: | 1520-5827 |
| DOI: | 10.1021/la103634v |