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Literature DB >> 26998188

Densely-packed ZnTPPs Monolayer on the Rutile TiO₂(110)-(1×1) Surface: Adsorption Behavior and Energy Level Alignment.

Sylvie Rangan¹, Charles Ruggieri¹, Robert Bartynski¹, José Ignacio Martínez², Fernando Flores³, José Ortega³.

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.

Entities: Chemical

Year: 2016 PMID： 26998188 PMCID： PMC4793616 DOI： 10.1021/acs.jpcc.5b12736

Source DB: PubMed Journal: J Phys Chem C Nanomater Interfaces ISSN： 1932-7447 Impact factor: 4.126

28 in total

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Journal: J Phys Condens Matter Date: 2009-09-01 Impact factor: 2.333

Densely-packed ZnTPPs Monolayer on the Rutile TiO₂(110)-(1×1) Surface: Adsorption Behavior and Energy Level Alignment.

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6. Basis set exchange: a community database for computational sciences.

7. Controlling polarization at insulating surfaces: quasiparticle calculations for molecules adsorbed on insulator films.

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