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  • Egbert Zojer
2019

A dithiocarbamate anchoring group as a flexible platform for interface engineering

Sauter, E., Nascimbeni, G., Trefz, D., Ludwigs, S., Zojer, E., von Wrochem, F. & Zharnikov, M., 2019, In : Physical Chemistry Chemical Physics. 21, p. 22511-22525

Research output: Contribution to journalArticleResearchpeer-review

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

Energy-level alignment at strongly coupled organic-metal interfaces

Chen, M. T., Hofmann, O. T., Gerlach, A., Bröker, B., Bürker, C., Niederhausen, J., Hosokai, T., Zegenhagen, J., Vollmer, A., Rieger, R., Müllen, K., Schreiber, F., Salzmann, I., Koch, N., Zojer, E. & Duhm, S., 1 Jan 2019, In : Journal of Physics Condensed Matter. 31, 19, 194002.

Research output: Contribution to journalArticleResearchpeer-review

Open Access

Magnetic configurations of open-shell molecules on metals: The case of CuPc and CoPc on silver

Wruss, E., Prokopiou, G., Kronik, L., Zojer, E., Hofmann, O. T. & Egger, D. A., 30 Aug 2019, In : Physical Review Materials. 3, 8, 086002.

Research output: Contribution to journalArticleResearchpeer-review

Modelling Organic-Inorganic Hybrid Interfaces

Zojer, E., 2019, World Scientific Reference of Hybrid Materials. World Scientific

Research output: Chapter in Book/Report/Conference proceedingChapterResearch

Phonon-Related Properties in Metal-Organic Frameworks

Kamencek, T., Wieser, S., Bedoya-Martínez, N. & Zojer, E., 16 Sep 2019.

Research output: Contribution to conferencePosterResearch

Phonon-Related Properties in Metal-Organic Frameworks from First Principles

Kamencek, T., Wieser, S., Bedoya-Martínez, N. & Zojer, E., 28 Oct 2019.

Research output: Contribution to conferencePosterResearch

Open Access

The Impact of Dipolar Layers on the Electronic Properties of Organic/Inorganic Hybrid Interfaces

Zojer, E., Taucher, T. C. & Hofmann, O. T., 23 Jul 2019, In : Advanced Materials Interfaces . 6, 14, 1900581.

Research output: Contribution to journalReview articleResearchpeer-review

Open Access

Triptycene Tripods for the Formation of Highly Uniform and Densely Packed Self-Assembled Monolayers with Controlled Molecular Orientation

Ishiwari, F., Nascimbeni, G., Sauter, E., Tago, H., Shoji, Y., Fujii, S., Kiguchi, M., Tada, T., Zharnikov, M., Zojer, E. & Fukushima, T., 10 Apr 2019, In : Journal of the American Chemical Society. p. 5995–6005

Research output: Contribution to journalArticleResearchpeer-review

Understanding phonon properties in isoreticular metal-organic frameworks from first principles

Kamencek, T., Bedoya-Martínez, N. & Zojer, E., 11 Nov 2019, In : Physical Review Materials. 3, p. 116003

Research output: Contribution to journalArticleResearchpeer-review

Understanding Phonon Properties in Metal-Organic Frameworks From First Principles

Kamencek, T., Zojer, E. & Falcaro, P., 26 Sep 2019.

Research output: Contribution to conferencePosterResearch

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

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

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

Evaluating different Models for the Analysis of Tunneling Current-Voltage Curves in Metal-Molecule-Metal Molecular Junctions

Taucher, T. C., Obersteiner, V. & Zojer, E., 11 Jul 2018.

Research output: Contribution to conferencePosterResearchpeer-review

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

Thermal transport in metal-organic frameworks from first principle calculations

Kamencek, T., Seewald, L., Bedoya-Martínez, N. & Zojer, E., 11 Sep 2018.

Research output: Contribution to conferencePosterResearch

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

Transition Voltage: Coverage Dependance and Impact of Anchoring Groups

Taucher, T. C., Obersteiner, V. & Zojer, E., 11 Sep 2018.

Research output: Contribution to conferencePosterResearchpeer-review

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

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

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

2017

Controlling Charge Transport through Molecular Monolayers by Electrostatic Design

Taucher, T. C., Obersteiner, V. & Zojer, E., 25 Sep 2017.

Research output: Contribution to conferencePosterResearchpeer-review

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

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

Electrostatic Control of Ballistic Transport through Self-Assembled Monolayers

Taucher, T. C., Obersteiner, V. & Zojer, E., 22 Jun 2017.

Research output: Contribution to conferencePosterResearchpeer-review

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

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

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

Intentional Modification of Electronic Structure in MoS2 Monolayer

Harivyasi, S. S. & Zojer, E., 21 Jun 2017.

Research output: Contribution to conferencePosterResearch

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

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

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

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

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

Adsorption behavior of nonplanar GaCl-phthalocyanine on Cu(111): Geometric and electronic properties

Wruß, E., Egger, D., Hofmann, O., Gerlach, A., Schreiber, F. & Zojer, E., 2015.

Research output: Contribution to conferencePosterResearch

A new perspective on the adsorption behavior of nonplanar GaClphthalocyanine on Cu(111)

Wruß, E., Egger, D., Hofmann, O., Gerlach, A., Schreiber, F. & Zojer, E., 2015.

Research output: Contribution to conferencePosterResearch

Architecture-specific Contributions to Short Channel Effects in Organic Transistors

Fernandez Fernandez, A., Zojer, E. & Zojer, K., 2015.

Research output: Contribution to conferencePosterResearch

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

Charge Transport through Molecular Monolayers: Impact of Collective Effects and Docking Groups

Obersteiner, V., Egger, D., Heimel, G. & Zojer, E., 15 Mar 2015.

Research output: Contribution to conference(Old data) Lecture or PresentationResearch

Disorder at organic/inorganic interfaces

Obersteiner, V., Zojer, E. & Hofmann, O., 2015.

Research output: Contribution to conferencePosterResearch

Effects of embedded dipole in alkanethiolate self-assembled monolayers

Schuster, S., Sullivan, N., Cabracos, O., Hehn, I., Morin, J-F., Zojer, E., Allara, D. & Zharnikov, M., 15 Mar 2015.

Research output: Contribution to conference(Old data) Lecture or PresentationResearch