title: Densely-packed ZnTPPs Monolayer on the Rutile TiO2(110)-(1×1) Surface: Adsorption Behavior and Energy Level Alignment.
abstract: The adsorption of a densely packed Zinc(II) tetraphenylporphyrin monolayer on a rutile TiO2(110)-(1×1) surface has been studied using a combination of experimental and theoretical methods, aimed at analyzing the relation between adsorption behavior and barrier height formation. The adsorption configuration of ZnTPP was determined from scanning tunnel microscopy (STM) imaging, density functional theory (DFT) calculations and STM image simulation. The corresponding energy alignment was experimentally determined from X-ray and UV-photoemission spectroscopies and inverse photoemission spectroscopy. These results were found in good agreement with an appropriately corrected DFT model, pointing to the importance of local bonding and intermolecular interactions in the establishment of barrier heights.
authors.affiliation: Dept. Physics and Astronomy, and Laboratory for Surface Modification, Rutgers, The State University of New Jersey, Piscataway, NJ 08854-8019 (USA).
authors.forename: Sylvie
authors.initials: S
authors.lastname: Rangan
authors.affiliation: Dept. Physics and Astronomy, and Laboratory for Surface Modification, Rutgers, The State University of New Jersey, Piscataway, NJ 08854-8019 (USA).
authors.forename: Charles
authors.initials: C
authors.lastname: Ruggieri
authors.affiliation: Dept. Physics and Astronomy, and Laboratory for Surface Modification, Rutgers, The State University of New Jersey, Piscataway, NJ 08854-8019 (USA).
authors.forename: Robert
authors.initials: R
authors.lastname: Bartynski
authors.affiliation: Dept. Surfaces, Coatings and Molecular Astrophysics, Institute of Materials Science of Madrid (ICMM-CSIC), Sor Juana Inés de la Cruz 3, E-28049 Madrid (Spain).
authors.forename: José Ignacio
authors.initials: JI
authors.lastname: Martínez
authors.affiliation: Dept. Física Teórica de la Materia Condensada and Condensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid, ES-28049 Madrid (Spain).
authors.forename: Fernando
authors.initials: F
authors.lastname: Flores
authors.affiliation: Dept. Física Teórica de la Materia Condensada and Condensed Matter Physics Center (IFIMAC), Universidad Autónoma de Madrid, ES-28049 Madrid (Spain).
authors.forename: José
authors.initials: J
authors.lastname: Ortega