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http://hdl.handle.net/2307/318
Titolo: | Experimental and Theoretical Investigation of the Pyrrole/Al(100)Interface | Autori: | Ruocco, Alessandro Chiodo, Letizia Sforzini, Massimo Palummo, Maurizia Monachesi, Patrizia Stefani, Giovanni |
Parole chiave: | PYRROLE C4H4NH ADSORPTION 1ST-PRINCIPLES CHEMISORPTION CONFIGURATION Al(100) EELS |
Data di pubblicazione: | dic-2009 | Editore: | American Chemical Society | Abstract: | The electronic properties of the pyrrole/Al(100) interface have beeninvestigated from both a theoretical and experimental point of view.Electron energy loss spectroscopy (EELS) in specular reflectiongeometry does not reveal modification of the electronic structure ofthe molecule when adsorbed on the Al surface. EELS results and the lowdesorption temperature of pyrrole indicate a weak molecule/metalinteraction. Ab initio calculations in the framework of thesingle-particle density functional theory within the local densityapproximation was used to investigate the adsorption energy andgeometry. The low adsorption energy, -0.51 eV per molecule, and thehigh N-Al distance, 1.98 angstrom, confirm the weak interaction ofpyrrole adsorbed on the Al Surface. | URI: | http://hdl.handle.net/2307/318 | ISSN: | 1089-5639 | DOI: | 10.1021/jp905537g |
È visualizzato nelle collezioni: | A - Articolo su rivista X_Dipartimento di Fisica 'Edoardo Amaldi' |
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