Adsorption Geometry and Energy Level Alignment at the PTCDA/TiO2(110) Interface

Sylvie Rangan, Charles Ruggieri, Robert Bartynski, José Ignacio Martínez, Fernando Flores, José Ortega

Research output: Contribution to journalArticlepeer-review

11 Scopus citations


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).

Original languageEnglish (US)
Pages (from-to)534-542
Number of pages9
JournalJournal of Physical Chemistry B
Issue number2
StatePublished - Jan 18 2018

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry


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