Experimental and theoretical investigation of the pyrrole/Al(100) interface.
The electronic properties of the pyrrole/Al(100) interface have been investigated from both a theoretical and experimental point of view. Electron energy loss spectroscopy (EELS) in specular reflection geometry does not reveal modification of the electronic structure of the molecule when adsorbed on the Al surface. EELS results and the low desorption temperature of pyrrole indicate a weak molecule/metal interaction. Ab initio calculations in the framework of the single-particle density functional theory within the local density approximation was used to investigate the adsorption energy and geometry. The low adsorption energy, -0.51 eV per molecule, and the high N-Al distance, 1.98 A, confirm the weak interaction of pyrrole adsorbed on the Al surface.
Ruocco
Alessandro
A
Dipartimento di Fisica and CNISM Università Roma Tre, Roma, Italy. ruocco@fis.uniroma3.it
Chiodo
Letizia
L
Sforzini
Massimo
M
Palummo
Maurizia
M
Monachesi
Patrizia
P
Stefani
Giovanni
G
D000327:Adsorption; D000535:Aluminum / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D011758:Pyrroles / Q000737:chemistry*; D011789:Quantum Theory; D013499:Surface Properties
D011758:Pyrroles; D000535:Aluminum