Adsorption Geometry and Energy Level Alignment at the PTCDA/TiO2(110) Interface
Sylvie Rangan1, Charles Ruggieri1, Robert Bartynski1
1Department of Physics and Astronomy and Laboratory for Surface Modification, Rutgers, The State University of New Jersey , Piscataway, New Jersey 08854-8019, United States.
Abstract:
The adsorption geometry and energy alignment at the PTCDA/TiO2(110) interface are investigated using a combination of experimental and theoretical approaches. The energy alignment is determined experimentally from the occupied and unoccupied states electronic structure measured using X-ray and UV photoemission and inverse photoemission, respectively. Two possible adsorption geometries compatible with previous studies, a flat geometry and a tilted geometry, were explored using DFT techniques, in order to obtain theoretical STM images and energy alignment at the interface. Both STM images simulation and resulting energy alignment point to a tilted geometry for PTCDA on TiO2(110).
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