Institut für Festkörperphysik

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UD; Ao.Univ.-Prof. Dipl.-Ing. Dr.techn.
Egbert Zojer

Institut für Festkörperphysik
Technische Universität Graz
Petersgasse 16/3.Stock
8010 Graz
Tel. +43 316 873 8475
Fax. +43 316 873 8466
Mobile: ++43 699 10831211

   New design strategies for tuning electrode properties by SAMs
   Kontrolle der Eigenschaften von SAMs durch eingebaute molekulare Dipole
   Reliably modeling the electronic structure of self-assembled monolayers
   FWF: Computergestützte Nanowissenschaften
   FWF: Organische Dünnfilmtransistoren als chemische Sensoren
   Marie-Curie ITN: THINFACE
   Thermisches Verhalten von OLEDs: Eine ganzheitliche Betrachtung

   513.300 Einführung in die Festkörperphysik
   513.127 513.128 Seminar Festkörperphysik
   513.141 Organic Semiconductors - Fundamentals and Applications
   513.042 Optoelektronische Halbleiterbauelemente
   513.120 Praktikum Festkörperphysik
   513.123 Projektpraktikum Festkörperphysik

   Dipl.-Ing. Christian Winkler
    Maximilian Kendler
   Dipl.-Ing., BSc., BSc. Tomas Kamencek
    Thomas Taucher
    Sandro Wieser
    Fabian Hauptmann
   BSc Marc Hollomey
    Simon Fernbach

   Charge mobility in organic semiconductors and covalent organic frameworks using the newly developed transient localization theory
   Modelling thermal transport in organic semiconductors
   Understanding the physical origins of the electrical conductivity in Covalent Organic Frameworks

   Developing tight-binding models for understanding charge transport in advanced materials
   Anwendung des Tight Binding Modells zur Beschreibung der Bandstruktur organischer Halbleiter
   Simulation von Phononenbandstrukturen organischer Halbleiter

   Understanding the charge transfer between metals and molecules
   Embedded-dipole self-assembled monolayers tune contact resistances in p‐type and n‐type organic transistors
   Tunneling Probability Increases with Distance in Junctions Comprising Self-assembled Monolayers of Oligothiophenes

last updated: 9. December 2016

Research projects (including links to publications from those projects)

Reliably modeling the electronic structure of self-assembled monolayers

Personal data


h-index: Web of Science (Google Scholar) = 43 (46); m-index ~ 2.3; citations ~ 6000 (7000); ~170 peer reviewed publications

Research Interests

Interaction between organic semiconductors and organic or inorganic substrates (organic nanostructures); interface modifications in organic devices; non-linear optical processes in conjugated molecules; theoretical and experimental investigation of excitation processes in conjugated organic materials; developing strategies for applying techniques going beyond conventional density functional theory to large systems; study the impact of disorder by combining quantum-mechanical modeling with molecular-dynamics simulations.

Main recent publications:

I. Hehn, S. Schuster, T. Wächter, T. Abu-Husein, A. Terfort, M. Zharnikov, and E. Zojer, “Employing X-ray Photoelectron Spectroscopy for Determining Layer Homogeneity in Mixed Polar Self-Assembled Monolayers”, J. Phys. Chem. Lett. 7, 2994 (2016)

A. Kovalchuk, D. A. Egger, T. Abu-Husein, E. Zojer, A. Terfort, and R. C. Chiechi, “Dipole-induced asymmetric conduction in tunneling junctions comprising self-assembled monolayers”, RSC Adv.6, 69479 (2016); DOI: 10.1039/c6ra10471a.

N. Ilyas, S. S. Harivyasi, P. Zahl, R. Cortes, O. T. Hofmann, P. Sutter, E. Zojer,* O. L. A. Monti*, “Sticking with the Pointy End? Molecular Configuration of Chloro Boron-Subphthalocyanine on Cu(111)”, J. Phys. Chem. C 120, 7113 (2016); DOI: 10.1021/acs.jpcc.5b11799.

E. Wruss, O. T. Hofmann, D. A. Egger, E. Verwüster, A. Gerlach, F. Schreiber and E. Zojer,* ”On the adsorption behavior of nonplanar phthalocyanines: Competition of different adsorption conformations”, J. Phys. Chem. C 120, 6869 (2016); DOI: 10.1021/acs.jpcc.6b00312.

Thomas C. Taucher, Iris Hehn, Oliver T. Hofmann, Michael Zharnikov, and Egbert Zojer,* “Understanding Chemical vs. Electrostatic Shifts in X-ray Photoelectron Spectra of Organic Self-Assembled Monolayers”, J. Phys. Chem. C 120, 3428–3437 (2016) ; DOI: 10.1021/acs.jpcc.5b12387

C. Zwick, A. Baby, M. Gruenewald, E. Verwüster, O. T. Hofmann, R. Forker, G. Fratesi, G. P. Brivio, E. Zojer, and T. Fritz,* “Complex Stoichiometry-Dependent Reordering of 3,4,9,10-Perylenetetracarboxylic Dianhydride on Ag(111) upon K Intercalation”, ACS Nano 10, 2365 (2016); DOI: 10.1021/acsnano.5b07145.

A. Kovalchuk, T. Abu-Husein, D. Fracasso, D. A. Egger,E. Zojer, M. Zharnikov, A. Terfort, and R. C. Chiechi,* “Transition Voltages Respond to Synthetic Reorientation of Embedded Dipoles in Self-Assembled Monolayers”, Chemical Science 7, 781 (2016); DOI: 10.1039/C5SC03097H.

H. Edlbauer, E. Zojer, O. T. Hofmann,* “Post-Adsorption Work Function Tuning via Hydrogen Pressure Control”, J. Phys. Chem. C 119, 27162 (2015). DOI: 10.1021/acs.jpcc.5b08827.

K. Zojer,* E. Zojer, A.F. Fernandez, and M. Gruber, “Impact of the capacitance of the dielectric on the contact resistance in organic transistors”, Phys. Rev. Applied 4, 044002 (2015). DOI: 10.1103/PhysRevApplied.4.044002

V. Obersteiner, D. A. Egger, and Egbert Zojer,* “Impact of Anchoring Groups on Ballistic Transport: Single Molecule vs. Monolayer Junctions”, J. Phys. Chem. C 119, 21198-21208 (2015). DOI: 10.1021/acs.jpcc.5b06110.

Gernot J. Kraberger, David A. Egger, Egbert Zojer,* “Tuning the electronic structure of graphene through collective electrostatic effects”, Adv. Mater. Interfaces 2, 1500323 (2015). DOI: 10.1002/admi.201500323.

T. Abu-Husein, S. Schuster, D. A. Egger, M. Kind, T. Santowski, A. Wiesner, R. Chiechi, E. Zojer,* A. Terfort,* and M. Zharnikov,* “The Effects of Embedded Dipoles in Aromatic Self-Assembled Monolayers”, Adv. Funct. Mater. 25, 3943 (2015). DOI: 10.1002/adfm.201500899

E. Verwüster, O. T. Hofmann, D. A. Egger, and E. Zojer,* “Electronic Properties of Biphenylthiolates on Au(111): The impact of coverage revisited”, J. Phys. Chem. C 119, 7817 (2015). DOI: 10.1021/acs.jpcc.5b00992

B. Kretz, D. A. Egger, and E. Zojer,* “A toolbox for controlling quantum states in organic monolayers”, Advanced Science 2, 1400016 (2015). DOI: 10.1002/advs.201400016