Controlling Single Molecule Conductance by a Locally Induced Chemical Reaction on Individual Thiophene Units

authored by: Tomasz Michnowicz, Bogdana Borca, Rémi Pétuya, Verena Schendel, Marcel Pristl, Ivan Pentegov, Ulrike Kraft, Hagen Klauk, Peter Wahl, Pingo Mutombo, Pavel Jelínek, Andrés Arnau, Uta Schlickum, Klaus Kern
Abstract: Among the prerequisites for the progress of single-molecule-based electronic devices are a better understanding of the electronic properties at the individual molecular level and the development of methods to tune the charge transport through molecular junctions. Scanning tunneling microscopy (STM) is an ideal tool not only for the characterization, but also for the manipulation of single atoms and molecules on surfaces. The conductance through a single molecule can be measured by contacting the molecule with atomic precision and forming a molecular bridge between the metallic STM tip electrode and the metallic surface electrode. The parameters affecting the conductance are mainly related to their electronic structure and to the coupling to the metallic electrodes. Here, the experimental and theoretical analyses are focused on single tetracenothiophene molecules and demonstrate that an in situ-induced direct desulfurization reaction of the thiophene moiety strongly improves the molecular anchoring by forming covalent bonds between molecular carbon and copper surface atoms. This bond formation leads to an increase of the conductance by about 50 % compared to the initial state.
External Organisation(s): Max Planck Institute for Solid State Research (MPI-FKF)
Institut de Physique des Materiaux, Bucarest-Magurele
Technische Universität Braunschweig
Donostia International Physics Center (DIPC)
University of Liverpool
University of Cambridge
University of St. Andrews
Czech Academy of Sciences
Centro Mixto CSIC-UPV/EHU
École polytechnique fédérale de Lausanne (EPFL)
Type: Article
Journal: Angewandte Chemie - International Edition
Volume: 59
Pages: 6207-6212
No. of pages: 6
ISSN: 1433-7851
Publication date: 01.04.2020
Publication status: Published
Peer reviewed: Yes
ASJC Scopus subject areas: Catalysis, Chemistry(all)
Electronic version(s): https://doi.org/10.1002/anie.201915200 (Access: Open)

BibTeX

@article{4bdc2f9fc22d4eeda25be80e3dd66f8b,
title = "Controlling Single Molecule Conductance by a Locally Induced Chemical Reaction on Individual Thiophene Units",
abstract = "Among the prerequisites for the progress of single-molecule-based electronic devices are a better understanding of the electronic properties at the individual molecular level and the development of methods to tune the charge transport through molecular junctions. Scanning tunneling microscopy (STM) is an ideal tool not only for the characterization, but also for the manipulation of single atoms and molecules on surfaces. The conductance through a single molecule can be measured by contacting the molecule with atomic precision and forming a molecular bridge between the metallic STM tip electrode and the metallic surface electrode. The parameters affecting the conductance are mainly related to their electronic structure and to the coupling to the metallic electrodes. Here, the experimental and theoretical analyses are focused on single tetracenothiophene molecules and demonstrate that an in situ-induced direct desulfurization reaction of the thiophene moiety strongly improves the molecular anchoring by forming covalent bonds between molecular carbon and copper surface atoms. This bond formation leads to an increase of the conductance by about 50 % compared to the initial state.",
keywords = "covalent-bond formation, DFT, single-molecule conductance, STM/AFM, strong anchoring",
author = "Tomasz Michnowicz and Bogdana Borca and R{\'e}mi P{\'e}tuya and Verena Schendel and Marcel Pristl and Ivan Pentegov and Ulrike Kraft and Hagen Klauk and Peter Wahl and Pingo Mutombo and Pavel Jel{\'i}nek and Andr{\'e}s Arnau and Uta Schlickum and Klaus Kern",
note = "Funding information: The authors acknowledge the Emmy-Noether-Program of the Deutsche Forschungsgemeinschaft, the SFB 767, Core Program PN19-03 (contract number 21 N/08.02.2019) founded by the Romanian Ministry of Research and Innovation, Basque Departamento de Universidades e Investigaci{\'o}n (grant no. IT-756-13), the Spanish Ministerio de Econom{\'i}a y Competitividad (grant no. FIS2013-48286-C2-8752-P and FIS2016-75862-P) and the Operational Programme Research, Development and Education financed by European Structural and Investment Funds and the Czech Ministry of Education, Youth and Sports (Project No. SOLID21 CZ.02.1.01/0.0/0.0/16_019/0000760). P.M. and P.J. acknowledge access to computing and storage facilities owned by parties and projects contributing to the Czech National Grid Infrastructure MetaCentrum provided under the programme “Projects of Large Research, Development, and Innovations Infrastructures” (CESNET LM2015042). P.J. acknowledges support from Praemium Academie of the Academy of Science of the Czech Republic and MEYS LM2015087.",
year = "2020",
month = apr,
day = "1",
doi = "10.1002/anie.201915200",
language = "English",
volume = "59",
pages = "6207--6212",
journal = "Angewandte Chemie - International Edition",
issn = "1433-7851",
publisher = "John Wiley and Sons Ltd",
number = "15",
}