Dipole formation at metal/PTCDA interfaces: Role of the Charge Neutrality Level

H. Vázquez, R. Oszwaldowski, P. Pou, J. Ortega, R. Pérez, F. Flores, Antoine Kahn

Research output: Contribution to journalArticlepeer-review

225 Scopus citations


The formation of a metal/PTCDA (3, 4, 9, 10-perylenetetracarboxylic dianhydride) interface barrier is analyzed using weak-chemisorption theory. The electronic structure of the uncoupled PTCDA molecule and of the metal surface is calculated. Then, the induced density of interface states is obtained as a function of these two electronic structures and the interaction between both systems. This induced density of states is found to be large enough (even if the metal/PTCDA interaction is weak) for the definition of a Charge Neutrality Level for PTCDA, located 2.45 eV above the highest occupied molecular orbital. We conclude that the metal/PTCDA interface molecular level alignment is due to the electrostatic dipole created by the charge transfer between the two solids.

Original languageEnglish (US)
Pages (from-to)802-808
Number of pages7
Issue number6
StatePublished - Mar 2004

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy


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