Please use this identifier to cite or link to this item:
http://hdl.handle.net/2307/318
DC Field | Value | Language |
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dc.contributor.author | Ruocco, Alessandro | - |
dc.contributor.author | Chiodo, Letizia | - |
dc.contributor.author | Sforzini, Massimo | - |
dc.contributor.author | Palummo, Maurizia | - |
dc.contributor.author | Monachesi, Patrizia | - |
dc.contributor.author | Stefani, Giovanni | - |
dc.date.accessioned | 2010-07-14T08:11:51Z | - |
dc.date.available | 2010-07-14T08:11:51Z | - |
dc.date.issued | 2009-12 | - |
dc.identifier.issn | 1089-5639 | - |
dc.identifier.uri | http://hdl.handle.net/2307/318 | - |
dc.description.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. | en |
dc.language.iso | en | en |
dc.publisher | American Chemical Society | en |
dc.relation.ispartof | The journal of physical Chemistry A | en |
dc.subject | PYRROLE C4H4NH | en |
dc.subject | ADSORPTION | en |
dc.subject | 1ST-PRINCIPLES | en |
dc.subject | CHEMISORPTION | en |
dc.subject | CONFIGURATION | en |
dc.subject | Al(100) | en |
dc.subject | EELS | en |
dc.title | Experimental and Theoretical Investigation of the Pyrrole/Al(100)Interface | en |
dc.type | Article | en |
dc.subject.miur | Settori Disciplinari MIUR::Scienze fisiche::FISICA DELLA MATERIA | en |
dc.subject.miur | Scienze fisiche | - |
dc.subject.isicrui | Categorie ISI-CRUI::Scienze fisiche::Applied Physics/Condensed Matter/Materials Science | en |
dc.subject.isicrui | Scienze fisiche | - |
dc.subject.anagraferoma3 | Scienze fisiche | en |
dc.relation.volumenumber | 113 | en |
dc.relation.pagenumber | 15193-15197 | en |
dc.identifier.doi | 10.1021/jp905537g | - |
dc.relation.issuenumber | 52 | en |
dc.description.romatrecurrent | Dipartimento di Fisica 'Edoardo Amaldi' | * |
item.fulltext | With Fulltext | - |
item.grantfulltext | restricted | - |
item.languageiso639-1 | other | - |
Appears in Collections: | A - Articolo su rivista X_Dipartimento di Fisica 'Edoardo Amaldi' |
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49_Ruocco_jpc09.pdf | 1.92 MB | Adobe PDF | Request a copy |
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