journal article·2018-08-28

Electronic Resonances and Gap Stabilization of Higher Acenes on a Gold Surface

Justus Krüger, Frank Eisenhut, Dmitry Skidin, Thomas Lehmann, Dmitry A. Ryndyk, Gianaurelio Cuniberti, Fátima García, José M. Alonso, Enrique Guitián, Dolores Pérez, Diego Peña, Georges Trinquier, Jean-Paul Malrieu, Francesca Moresco, Christian Joachim

ACS Nano· Volume 12· Issue 8
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Abstract

On-surface synthesis provides a powerful method for the generation of long acene molecules, making possible the detailed investigation of the electronic properties of single higher acenes on a surface. By means of scanning tunneling microscopy and spectroscopy combined with theoretical considerations, we discuss the polyradical character of the ground state of higher acenes as a function of the number of linearly fused benzene rings. We present energy and spatial mapping of the tunneling resonances of hexacene, heptacene, and decacene, and discuss the role of molecular orbitals in the observed tunneling conductance maps. We show that the energy gap between the first electronic tunneling resonances below and above the Fermi energy stabilizes to a finite value, determined by a first diradical electronic perturbative contribution to the polyacene electronic ground state. Up to decacene, the main contributor to the ground state of acenes remains the lowest-energy closed-shell electronic configuration.
Source: openalex_inverted_index · Quality: baseline

Research context

OpenAlex topics: Catalysts for Methane Reforming · Catalysis for Biomass Conversion · Hybrid Renewable Energy Systems

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Institute for Materials Science and Max Bergmann Center of Biomaterials, TU Dresden, 01062 Dresden, Germany

Center for Advancing Electronics Dresden, TU Dresden, 01062 Dresden, Germany

Bremen Center for Computational Materials Science (BCCMS), Universität Bremen, 28359 Bremen, Germany

Dresden Center for Computational Materials Science (DCMS), TU Dresden, 01062 Dresden, Germany

Centro de Investigación en Química Biolóxica e Materiais Moleculares (CIQUS) and Departamento de Química Orgánica, Universidade de Santiago de Compostela, 15782-Santiago de Compostela, Spain

Laboratoire de Chimie et Physique Quantiques, IRSAMC−CNRS-UMR5626, Université Paul-Sabatier (Toulouse III), 31062 Toulouse Cedex 4, France

Centre d’élaboration de matériaux et d’études structurale (CEMES), UPR 8011 CNRS, Nanosciences Group & MANA Satellite, 29 Rue J. Marvig, P.O. Box 94347, 31055 Toulouse, France

Funding

FP7 Information and Communication Technologies · European Regional Development Fund · Deutsche Forschungsgemeinschaft · International Helmholtz Research School for Nanoelectronic Networks NANONET · Xunta de Galicia · Agencia Estatal de Investigaci?n

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