Arbeitsgruppe Zojer Simon Fernbach Fabian Hauptmann Lukas Legenstein Florian P. Lindner Lukas Reicht Robbin Steentjes Nina Strasser Narges Taghizadeh Sandro Wieser
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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
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