Institute of Solid State Physics

Egbert Zojer

People in the Zojer group
Simon Fernbach
Lukas Legenstein
Florian P. Lindner
Klotz Martin
Lukas Reicht
Robbin Steentjes
Nina Strasser
Narges Taghizadeh
Sandro Wieser

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

Master projects available
The electrostatic design of materials
Understanding thermal transport in OSCs and MOFs using highly accurate machine-learned force-fields

Bachelor projects available
Understanding electronic and vibrational properties of organic semiconductors and framework structures using density-functional theory in combination with machine-learned force fields

Projects
   New design strategies for tuning electrode properties by SAMs
   Tuning the electronic properties of SAMs by embedded molecular dipoles
   Reliably modeling the electronic structure of self-assembled monolayers
   FWF: Computational Nanotechnology
   FWF: Organic Thin Film Transistors as Chemical Sensors
   Marie-Curie ITN: THINFACE
   Thermal behavior of OLEDs: A holistic approach

Courses
   513.042 Optoelectronic Semiconductor Devices
   513.120 Solid State Physics Laboratory Exercises
   513.123 Bachelor Project
   513.127 513.128 Seminar Solid State Physics
   513.141 Organic Semiconductors - Fundamentals and Applications
   513.300 Introduction to Solid State Physics
   PHT.307 Advanced Solid State Physics

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

Research

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