Find Research Outputs

Search concepts
Selected filters
(Old data) Lecture or Presentation

Tuning interface properties by self-assembled monolayers: the role of the molecular backbone

Zojer, E., Egger, D., Wang, L., Rangger, G., Rissner, F., Romaner, L. & Heimel, G., 6 Mar 2010.

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

Unconventional self-assembled monolayers with unusual properties

Egger, D., Rissner, F., Hofmann, O., Natan, A., Kronik, L., Heimel, G. & Zojer, E., 10 Mar 2013.

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

Understanding the electronic structure of strongly interacting metal-organic interfaces

Zojer, E., Heimel, G., Hofmann, O., Rissner, F., Romaner, L., Bröker, B., Glowatzki, H. & Koch, N., 7 Sep 2011.

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

Unusual properties of “distributed-dipole” based self-assembled monolayers

Zojer, E., Egger, D., Rissner, F., Hofmann, O., Natan, A. & Kronik, L., 3 Dec 2012.

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

Using collective electrostatic effects to tune the electronic structure of graphene

Kraberger, G., Egger, D. & Zojer, E., 15 Mar 2015.

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

Using the Gradient Channel Approximation as scaling law for organic thin film transistors with contact resistance

Gruber, M., Zojer, E. & Zojer, K., 26 May 2014.

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

Work-Function Modification beyond Pinning: When Do Molecular Dipoles Count?

Hofmann, O., Egger, D., Rangger, G. & Zojer, E., 25 Mar 2011.

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

Anthology
Open Access
Article

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

Self assembled monolayers
Electrostatics
platforms
engineering
electrostatics

Analysis of bonding between conjugated organic molecules and noble metal surfaces using orbital overlap populations

Rangger, G. M., Romaner, L., Hofmann, O. T., Heimel, G., Ramsey, M. G. & Zojer, E., 9 Nov 2010, In : Journal of chemical theory and computation. 6, 11, p. 3481-3489 9 p.

Research output: Contribution to journalArticleResearchpeer-review

Open Access
Precious metals
noble metals
metal surfaces
Metals
orbitals

Analyzing the bonding between conjugated organic molecules and noble metal surfaces using orbital overlap populations

Rangger, G., Romaner, L., Hofmann, O., Heimel, G., Ramsey, M. & Zojer, E., 2010, In : Journal of chemical theory and computation. 6, p. 3481-ff

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

A novel concept for humidity compensated sub ppm ammonia detection

Pacher, P., Lex, A., Eder, S., Trimmel, G., Slugovc, C., List, E. & Zojer, E., 2010, In : Sensors and Actuators / B, Chemical. 145, p. 181-184

Research output: Contribution to journalArticleResearchpeer-review

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

A particularly strong organic acceptor for tuning the hole-injection barriers in modern organic devices

Rangger, G., Hofmann, O., Bröker, B. & Zojer, E., 2010, In : Synthetic metals. 160, p. 1456-ff

Research output: Contribution to journalArticleResearchpeer-review

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

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

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

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

Density-dependent reorientation and rehybridization of chemisorbed conjugated molecules for controlling interface electronic structure

Bröcker, B., Hofmann, O., Rangger, G., Frank, P., Blum, R., Rieger, R., Venema, L., Vollmer, A., Müllen, K., Rabe, J. P., Winkler, A., Rudolf, P., Zojer, E. & Koch, N., 2010, In : Physical Review Letters. 104, p. 246805-ff

Research output: Contribution to journalArticleResearchpeer-review

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

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

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

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

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

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

Efficient Blue-Light-Emitting Polymer Heterostructure Devices: The Fabrication of Multilayer Structures from Orthogonal Solvents

Sax, S., Rugen-Penkalla, N., Neuhold, A., Schuh, S., Zojer, E., List, E. & Müllen, K., 2010, In : Advanced Materials. 22, 18, p. 2087-2091

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

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

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

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

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

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

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
Electron energy levels
energy levels
Metals
alignment
Coinage

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)

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 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

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

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

Is there a Au-S bond dipole in self-assembled monolayers on gold?

Wang, L., Rangger, G., Ma, Z. Y., Li, Q. K., Shuai, Z., Zojer, E. & Heimel, G., 2010, In : Physical chemistry, chemical physics. 12, p. 4287-ff

Research output: Contribution to journalArticleResearchpeer-review

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

Silver
Magnetic properties
Metals
silver
Molecules

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

Modeling the electronic properties of Pi-conjugated self-assembled monolayers

Heimel, G., Rissner, F. & Zojer, E., 2010, In : Advanced Materials. 22, p. 2494-ff

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

Orientational ordering of nonplanar phthalocyanines on Cu(111): Strength and orientation of the electric dipole moment

Gerlach, A., Hosokai, T., Duhm, S., Kera, S., Hofmann, O. T., Zojer, E., Zegenhagen, J. & Schreiber, F., 11 Apr 2011, In : Physical Review Letters. 106, 15, 156102.

Research output: Contribution to journalArticleResearchpeer-review

electric moments
standing waves
electric dipoles
dipole moments
covalent bonds

Orientational Ordering of Non-Planar Phthalocyanines on Cu(111): Strength and Orientation of the Electric Dipole Moment

Gerlach, A., Hosokai, T., Duhm, S., Kera, S., Hofmann, O., Zojer, E., Zegenhagen, J. & Schreiber, F., 2011, In : Physical Review Letters. 106, p. 156102-ff

Research output: Contribution to journalArticleResearchpeer-review

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

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

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