Egbert Zojer

Ao.Univ.-Prof. Dipl.-Ing. Dr.techn.

19962021
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Research Output 1996 2019

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Article
2019

Analyzing the Electronic Coupling in Molecular Crystals—The Instructive Case of α‐Quinacridone

Winkler, C., Mayer, F. & Zojer, E., 28 May 2019, In : Advanced Theory and Simulations. 2, 5, 1800204.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
2018

Controlling the electronic properties of van der Waals heterostructures by applying electrostatic design

Winkler, C., Harivyasi, S. S. & Zojer, E., 11 May 2018, In : 2D Materials. 5, 3, p. 035019 1 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
Electronic properties
Transition metals
Heterojunctions
Electrostatics
electrostatics

Distinguishing between Charge-Transfer Mechanisms at Organic/Inorganic Interfaces Employing Hybrid Functionals

Wruss, E., Zojer, E. & Hofmann, O. T., 5 Jul 2018, In : Journal of Physical Chemistry C. 122, 26, p. 14640-14653 14 p.

Research output: Contribution to journalArticleResearchpeer-review

functionals
Charge transfer
charge transfer
Density functional theory
Substrates

Embedded Dipole Self-Assembled Monolayers for Contact Resistance Tuning in p-Type and n-Type Organic Thin Film Transistors and Flexible Electronic Circuits

Petritz, A., Krammer, M., Sauter, E., Gärtner, M., Nascimbeni, G., Schrode, B., Fian, A., Cojocaru, A., Gold, H., Karner-Petritz, E., Resel, R., Terfort, A., Zojer, E., Zharnikov, M., Zojer, K. & Stadlober, B., 26 Sep 2018, In : Advanced functional materials. 28, 45, p. 1804462 12 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access

Structural, Spectroscopic, and Computational Characterization of the Concomitant Polymorphs of the Natural Semiconductor Indigo

Salzillo, T., D'Agostino, S., Rivalta, A., Giunchi, A., Brillante, A., Della Valle, R. G., Bedoya-Martínez, N., Zojer, E., Grepioni, F. & Venuti, E., 16 Aug 2018, In : Journal of Physical Chemistry C. 122, 32, p. 18422-18431 10 p.

Research output: Contribution to journalArticleResearchpeer-review

Indigo Carmine
Polymorphism
Semiconductor materials
Raman spectroscopy
casts

Toward a Reliable Description of the Lattice Vibrations in Organic Molecular Crystals: The Impact of van der Waals Interactions

Bedoya-Martínez, N., Giunchi, A., Salzillo, T., Venuti, E., Della Valle, R. G. & Zojer, E., 14 Aug 2018, In : Journal of chemical theory and computation. 14, 8, p. 4380-4390 11 p.

Research output: Contribution to journalArticleResearchpeer-review

Molecular crystals
Lattice vibrations
lattice vibrations
Density functional theory
density functional theory

Tunneling Probability Increases with Distance in Junctions Comprising Self-Assembled Monolayers of Oligothiophenes

Zhang, Y., Soni, S., Krijger, T. L., Gordiichuk, P., Qiu, X., Ye, G., Jonkman, H. T., Herrmann, A., Zojer, K., Zojer, E. & Chiechi, R. C., 7 Nov 2018, In : Journal of the American Chemical Society. 140, 44, p. 15048-15055 8 p.

Research output: Contribution to journalArticleResearchpeer-review

Self assembled monolayers
Charge transfer
Electrodes
Molecular electronics
Molecules

Understanding the Properties of Tailor-Made Self-Assembled Monolayers with Embedded Dipole Moments for Interface Engineering

Gärtner, M., Sauter, E., Nascimbeni, G., Petritz, A., Wiesner, A., Kind, M., Abu-Husein, T., Bolte, M., Stadlober, B., Zojer, E., Terfort, A. & Zharnikov, M., 20 Dec 2018, In : Journal of Physical Chemistry C. 122, 50, p. 28757-28774 18 p.

Research output: Contribution to journalArticleResearchpeer-review

Dipole moment
Self assembled monolayers
dipole moments
engineering
electronics

Van der Waals Interaction Activated Strong Electronic Coupling at the Interface between Chloro Boron-Subphthalocyanine and Cu(111)

Harivyasi, S. S., Hofmann, O. T., Ilyas, N., Monti, O. L. A. & Zojer, E., 2018, In : Journal of Physical Chemistry C. 122, 6, p. 14621-14630

Research output: Contribution to journalArticleResearchpeer-review

Boron
Van der Waals forces
boron
Molecules
electronics
2017

DFT-Assisted Polymorph Identification from Lattice Raman Fingerprinting

Bedoya-Martínez, N., Schrode, B., Jones, A. O. F., Salzillo, T., Ruzié, C., Demitri, N., Geerts, Y. H., Venuti, E., Della Valle, R. G., Zojer, E. & Resel, R., 3 Aug 2017, In : Journal of Physical Chemistry Letters. 8, 15, p. 3690-3695 6 p.

Research output: Contribution to journalArticleResearchpeer-review

Lattice vibrations
Polymorphism
Density functional theory
density functional theory
lattice vibrations

Effects of Embedded Dipole Layers on Electrostatic Properties of Alkanethiolate Self-Assembled Monolayers

Cabarcos, O. M., Schuster, S., Hehn, I., Zhang, P. P., Maitani, M. M., Sullivan, N., Giguère, J. B., Morin, J. F., Weiss, P. S., Zojer, E., Zharnikov, M. & Allara, D. L., 27 Jul 2017, In : Journal of Physical Chemistry C. 121, 29, p. 15815-15830 16 p.

Research output: Contribution to journalArticleResearchpeer-review

Self assembled monolayers
esters
Electrostatics
electrostatics
dipoles

Electrostatic Design of 3D Covalent Organic Networks

Obersteiner, V., Jeindl, A., Götz, J., Perveaux, A., Hofmann, O. T. & Zojer, E., 19 Jul 2017, In : Advanced Materials. 29, 27, 1700888.

Research output: Contribution to journalArticleResearchpeer-review

Electrostatics
Charge carriers
Excitons
Functional groups
Electronic structure

Exploring the driving forces behind the structural assembly of biphenylthiolates on Au(111)

Verwüster, E., Wruss, E., Zojer, E. & Hofmann, O. T., 14 Jul 2017, In : Journal of Chemical Physics. 147, 2, 024706.

Research output: Contribution to journalArticleResearchpeer-review

Self assembled monolayers
assembly
Adsorbates
Potential energy surfaces
Molecules

Fully Atomistic Understanding of the Electronic and Optical Properties of a Prototypical Doped Charge-Transfer Interface

Baby, A., Gruenewald, M., Zwick, C., Otto, F., Forker, R., Van Straaten, G., Franke, M., Stadtmüller, B., Kumpf, C., Brivio, G. P., Fratesi, G., Fritz, T. & Zojer, E., 24 Oct 2017, In : ACS Nano. 11, 10, p. 10495-10508 14 p.

Research output: Contribution to journalArticleResearchpeer-review

Electronic properties
Charge transfer
Optical properties
charge transfer
Doping (additives)

Orientation-dependent work-function modification using substituted pyrene-based acceptors

Hofmann, O. T., Glowatzki, H., Bürker, C., Rangger, G. M., Bröker, B., Niederhausen, J., Hosokai, T., Salzmann, I., Blum, R. P., Rieger, R., Vollmer, A., Rajput, P., Gerlach, A., Müllen, K., Schreiber, F., Zojer, E., Koch, N. & Duhm, S., 2017, In : Journal of Physical Chemistry C. 121, 39

Research output: Contribution to journalArticleResearchpeer-review

Pyrene
pyrenes
Crystal orientation
Electron affinity
electron affinity

Relative Thermal Stability of Thiolate- and Selenolate-Bonded Aromatic Monolayers on the Au(111) Substrate

Ossowski, J., Nascimbeni, G., Zaba, T., Verwüster, E., Rysz, J., Terfort, A., Zharnikov, M., Zojer, E. & Cyganik, P., 21 Dec 2017, In : Journal of Physical Chemistry C. 121, 50, p. 28031-28042 12 p.

Research output: Contribution to journalArticleResearchpeer-review

Self assembled monolayers
Monolayers
Thermodynamic stability
thermal stability
Substrates

Unconventional Current Scaling and Edge Effects for Charge Transport through Molecular Clusters

Obersteiner, V., Huhs, G., Papior, N. & Zojer, E., 13 Dec 2017, In : Nano Letters. 17, 12, p. 7350-7357 8 p.

Research output: Contribution to journalArticleResearchpeer-review

molecular clusters
Charge transfer
scaling
Molecules
molecules
2016

Complex Stoichiometry-Dependent Reordering of 3,4,9,10-Perylenetetracarboxylic Dianhydride on Ag(111) upon K Intercalation

Zwick, C., Baby, A., Gruenewald, M., Verwüster, E., Hofmann, O., Forker, R., Fratesi, G., Brivio, G. P., Zojer, E. & Fritz, T., 2016, In : ACS Nano. 10, p. 2365

Research output: Contribution to journalArticleResearchpeer-review

Dipole-induced asymmetric conduction in tunneling junctions comprising self-assembled monolayers

Kovalchuk, A., Egger, D., Abu-Hussein, T., Zojer, E., Terfort, A. & Chiechi, R., 2016, In : RSC Advances . 6, p. 69479

Research output: Contribution to journalArticleResearchpeer-review

Electronic properties of 1,2;8,9-dibenzopentacene in solutions, solid matrices and thin films

Tovstopyat, A., Zojer, E. & Leising, G., 2016, In : Journal of applied spectroscopy. 83, 1, p. 20-26

Research output: Contribution to journalArticleResearchpeer-review

Employing X-ray Photoelectron Spectroscopy for Determining Layer Homogeneity in Mixed Polar Self-Assembled Monolayers

Hehn, I., Schuster, S., Wächter, T., Abu-Hussein, T., Zharnikov, M. & Zojer, E., 2016, In : The journal of physical chemistry letters . 7, p. 2994

Research output: Contribution to journalArticleResearchpeer-review

On the adsorption behavior of nonplanar phthalocyanines: Competition of different adsorption conformations

Wruß, E., Hofmann, O., Egger, D., Verwüster, E., Gerlach, A., Schreiber, F. & Zojer, E., 2016, In : The journal of physical chemistry (Washington, DC) / C. 120, p. 6869

Research output: Contribution to journalArticleResearchpeer-review

Sticking with the Pointy End? Molecular Configuration of Chloro Boron-Subphthalocyanine on Cu(111)

Ilyas, N., Harivyasi, S. S., Zahl, P., Cortes, R., Hofmann, O. T., Sutter, P., Zojer, E. & Monti, O. L. A., 7 Apr 2016, In : Journal of Physical Chemistry C. 120, 13, p. 7113-7121 9 p.

Research output: Contribution to journalArticleResearchpeer-review

Boron
boron
Scanning tunneling microscopy
Molecules
Adsorption

Transition Voltages Respond to Synthetic Reorientation of Embedded Dipoles in Self-Assembled Monolayers

Kovalchuk, A., Abu-Husein, T., Fracasso, D., Egger, D., Zojer, E., Zharnikov, M., Terfort, A. & Chiechi, R., 2016, In : Chemical science. 7, p. 781-787

Research output: Contribution to journalArticleResearchpeer-review

Understanding Chemical vs. Electrostatic Shifts in X-ray Photoelectron Spectra of Organic Self-Assembled Monolayers

Taucher, T., Hehn, I., Hofmann, O., Zharnikov, M. & Zojer, E., 2016, In : The journal of physical chemistry (Washington, DC) / C. p. 3428-3437

Research output: Contribution to journalArticleResearchpeer-review

2015

A Toolbox for Controlling the Energetics and Localization of Electronic States in Self-Assembled Organic Monolayers

Kretz, B., Egger, D. & Zojer, E., 2015, In : Advanced Science . 2, 3, p. 1400016-ff

Research output: Contribution to journalArticleResearchpeer-review

Electronic Properties of Biphenylthiolates on Au(111): The impact of coverage revisited

Verwüster, E., Hofmann, O., Egger, D. & Zojer, E., 2015, In : The journal of physical chemistry (Washington, DC) / C. 119, p. 7817-ff

Research output: Contribution to journalArticleResearchpeer-review

Impact of Anchoring Groups on Ballistic Transport: Single Molecule vs. Monolayer Junctions

Obersteiner, V., Egger, D. & Zojer, E., 2015, In : The journal of physical chemistry (Washington, DC) / C. 119, p. 21198-21208

Research output: Contribution to journalArticleResearchpeer-review

Impact of the capacitance of the dielectric on the contact resistance in organic transistors

Zojer, K., Zojer, E., Fernandez Fernandez, A. & Gruber, M., 2015, In : Physical review applied. 4, p. 044002-ff

Research output: Contribution to journalArticleResearchpeer-review

Postadsorption Work Function Tuning via Hydrogen Pressure Control

Edlbauer, H., Zojer, E. & Hofmann, O. T., 3 Dec 2015, In : The journal of physical chemistry (Washington, DC) / C. 119, 48, p. 27162-27172 11 p.

Research output: Contribution to journalArticleResearchpeer-review

Pressure control
mixing ratios
Hydrogen
Tuning
tuning

Post-Adsorption Work Function Tuning via Hydrogen Pressure Control

Edlbauer, H., Zojer, E. & Hofmann, O., 2015, In : The journal of physical chemistry (Washington, DC) / C. 119, p. 27162-ff

Research output: Contribution to journalArticleResearchpeer-review

The Effects of Embedded Dipoles in Aromatic Self-Assembled Monolayers

Abu-Husein, T., Schuster, S., Egger, D., Kind, M., Santowski, T., Wieser, A., Chiechi, R., Zojer, E., Terfort, A. & Zharnikov, M., 2015, In : Advanced functional materials. 25, p. 3943-ff

Research output: Contribution to journalArticleResearchpeer-review

Tuning the electronic structure of graphene through collective electrostatic effects

Kraberger, G. J., Egger, D. & Zojer, E., 2015, In : Advanced Materials Interfaces . p. 1500323-1500323

Research output: Contribution to journalArticleResearchpeer-review

2014

Impact of Collective Electrostatic Effects on Charge Transport through Molecular Monolayers

Obersteiner, V., Egger, D., Heimel, G. & Zojer, E., 2014, In : The journal of physical chemistry (Washington, DC) / C. 118, p. 22395-ff

Research output: Contribution to journalArticleResearchpeer-review

Outer-valence electron spectra of prototypical aromatic heterocycles from an optimally-tuned range-separated hybrid functional

Egger, D., Weismann, S., Refaely-Abramson, S., Sharifzadeh, S., Dauth, M., Baer, R., Kümmel, S., Neaton, J. B., Zojer, E. & Kronik, L., 2014, In : Journal of chemical theory and computation. 10, p. 1934-ff

Research output: Contribution to journalArticleResearchpeer-review

Understanding the adsorption of CuPc and ZnPc on noble metal surfaces by combining quantum-mechanical modelling and photoelectron spectroscopy

Huang, Y., Wruß, E., Egger, D., Kera, S., Ueno, N., Saidi, W. A., Bucko, T., Wee, A. T. S. & Zojer, E., 2014, In : Molecules . 19, p. 2969-2992

Research output: Contribution to journalArticleResearchpeer-review

2013

Anticorrelation between the Evolution of Molecular Dipole Moments and Induced Work Function Modifications

Egger, D. & Zojer, E., 2013, In : The journal of physical chemistry letters . 4, p. 3521-ff

Research output: Contribution to journalArticleResearchpeer-review

Impact of materials vs. geometric parameters on the contact resistance in organic thin-film transistors

Gruber, M., Zojer, E., Schürrer, F. & Zojer, K., 2013, In : Advanced functional materials. 23, p. 2941-ff

Research output: Contribution to journalArticleResearchpeer-review

Understanding Structure and Bonding of Multilayered Metal-Organic Nanostructures

Egger, D., Ruiz, V. G., Saidi, W. A., Bucko, T., Tkatchenko, A. & Zojer, E., 2013, In : The journal of physical chemistry (Washington, DC) / C. 117, p. 3055-ff

Research output: Contribution to journalArticleResearchpeer-review

X-ray based tools for the investigation of buried interfaces in organic electronic devices

Neuhold, A., Brandner, H., Außerlechner, S., Lorbek, S., Neuschitzer, M., Zojer, E., Teichert, C. & Resel, R., 2013, In : Organic electronics. 14, p. 479-487

Research output: Contribution to journalArticleResearchpeer-review

2012

Density-Functional Theory with Screened van der Waals Interactions for the Modeling of Hybrid Inorganic/Organic Systems

Ruiz, V. G., Liu, W., Zojer, E., Scheffler, M. & Tkatchenko, A., 2012, In : Physical Review Letters. 108, p. 146103-ff

Research output: Contribution to journalArticleResearchpeer-review

Dimensionality effects in the electronic structure of organic semiconductors consisting of polar repeat units

Rissner, F., Natan, A., Egger, D., Hofmann, O., Kronik, L. & Zojer, E., 2012, In : Organic electronics. 13, p. 3165-ff

Research output: Contribution to journalArticleResearchpeer-review

Mechanism of surface proton transfer doping in pentacene based organic thin-film transistors

Außerlechner, S. J., Gruber, M., Hetzel, R., Hauser, L., Haase, A., Buchner, M., Resel, R., Schürrer, F., Stadlober, B., Trimmel, G., Zojer, K. & Zojer, E., 2012, In : Physica status solidi / A. 209, 1, p. 181-192

Research output: Contribution to journalArticleResearchpeer-review

Patterned Immobilization of a Luminescent Ru(II) Complex in Polymer Films Using the Photoreaction of Benzyl thiocyanate: Towards Color Emission Tuning of Electroluminescent Devices

Köpplmayr, T., Cardinale, M., Rath, T., Trimmel, G., Rentenberger, S., Zojer, E., Kern, W. & Grießer, T., 2012, In : Macromolecular chemistry and physics. 213, 4, p. 367-373

Research output: Contribution to journalArticleResearchpeer-review

Polarity Switching of Charge Transport through Self-Assembled Monolayer Devices

Egger, D., Rissner, F., Zojer, E. & Heimel, G., 2012, In : Advanced Materials. 24, p. 4403-ff

Research output: Contribution to journalArticleResearchpeer-review

Radical self-assembled monolayers on Au(111) formed by the adsorption of closed-shell molecules

Rissner, F., Ma, Z., Hofmann, O., Slugovc, C., Shuai, Z. & Zojer, E., 2012, In : Journal of materials chemistry. 22, p. 4269-4272

Research output: Contribution to journalArticleResearchpeer-review

Synthesis, Characterisation, X-ray Structure, and Two-Photon Absorption of a Dipolar Chromophore with Third-Harmonic Generation Applications in the Telecommunciations Region

Getmanenko, Y. A., Hales, J. M., Balu, M., Fu, J., Zojer, E., Kwon, O., Mendez, J., Thayumanavan, S., Walker, G., Zhang, Q., Bunge, S. D., Brédas, J-L., Hagan, D. J., Van Stryland, E. W., Barlow, S. & Marder, S. R., 2012, In : Journal of materials chemistry. 22, p. 4371-ff

Research output: Contribution to journalArticleResearchpeer-review

2011

Collectively Induced Quantum-Confined Stark Effect in Monolayers of Molecules Consisting of Polar Repeating Units

Rissner, F., Egger, D., Natan, A., Körzdörfer, T., Kümmel, S., Kronik, L. & Zojer, E., 2011, In : Journal of the American Chemical Society. 133, p. 18634-ff

Research output: Contribution to journalArticleResearchpeer-review

Electronic Structure of Pyridine-based SAMs on Flat Au(111) Surfaces: Extended Charge Rearrangements and Fermi Level Pinning

Ma, Z., Rissner, F., Wang, L., Heimel, G., Li, Q. K., Shuai, Z. & Zojer, E., 2011, In : Physical chemistry, chemical physics. 13, p. 9747-ff

Research output: Contribution to journalArticleResearchpeer-review