| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374639 | Chemical Physics | 2011 | 6 Pages |
Abstract
⺠We use Density Functional calculations to analyze the PTCDA/Au(1 1 1) interface. ⺠Molecular charging energy effect on the transport gap has been also included. ⺠Alignment between the metal and organic levels is controlled by the charge transfer. ⺠IDIS model states the molecule CNL and the metal work function relative positioning. ⺠Good agreement with the experimental evidence is found.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
J.I. MartÃnez, E. Abad, F. Flores, J. Ortega, G. Brocks,