The electronic structure of highly crystalline picene films with a standing-up orientation grown epitaxially on the Ag(110) surface was investigated. Upon exposure to oxgen gas, O(2) molecules incorporate at the interstitial sites within the a-b plane of the film. Features related to the highest three occupied molecular orbitals shift toward a lower binding energy which results in the inactivation of traps and the reduction of the charge injection barrier by about 1 eV. It is suggested that the highest two picene orbitals are inverted due to the strong interactions between the singly occupied oxygen pi orbital and the highest occupied orbital of picene.
Wang Y., Di Motta S., Negri F., Friedlein R. (2011). Effect of Oxygen on the Electronic Structure of Highly Crystalline Picene Films. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 133, 10054-10057 [10.1021/ja204011j].
Effect of Oxygen on the Electronic Structure of Highly Crystalline Picene Films
DI MOTTA, SIMONE;NEGRI, FABRIZIA;
2011
Abstract
The electronic structure of highly crystalline picene films with a standing-up orientation grown epitaxially on the Ag(110) surface was investigated. Upon exposure to oxgen gas, O(2) molecules incorporate at the interstitial sites within the a-b plane of the film. Features related to the highest three occupied molecular orbitals shift toward a lower binding energy which results in the inactivation of traps and the reduction of the charge injection barrier by about 1 eV. It is suggested that the highest two picene orbitals are inverted due to the strong interactions between the singly occupied oxygen pi orbital and the highest occupied orbital of picene.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
