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List of works by Egbert Zojer

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Postadsorption Work Function Tuning via Hydrogen Pressure Control

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

scientific article published on 10 March 2016
Polarity switching of charge transport and thermoelectricity in self-assembled monolayer devices.

scientific article published on 16 July 2012
Stretching and Breaking of a Molecular Junction

scientific article published on 01 December 2006
Structure to Property Relationships for Multiphoton Absorption in Covalently Linked Porphyrin Dimers: A Correction Vector INDO/MRDCI Study

scientific article published on 04 August 2007
Defect chemistry of polyfluorenes: identification of the origin of “interface defects” in polyfluorene based light-emitting devices

scientific article published on 12 September 2008
Van der Waals Interactions Between Organic Adsorbates and at Organic/Inorganic Interfaces

article
Three-photon absorption in anthracene-porphyrin-anthracene triads: a quantum-chemical study

scientific article published in December 2004
Orientation-Dependent Work-Function Modification Using Substituted Pyrene-Based Acceptors.

scientific article published on 27 October 2017
Tunneling Probability Increases with Distance in Junctions Comprising Self-Assembled Monolayers of Oligothiophenes

scientific article published on 25 October 2018
Pyrroline Chromophores for Electro-Optics

article by Sei-Hum Jang et al published June 2006 in Chemistry of Materials
UV∕ozone treated Au for air-stable, low hole injection barrier electrodes in organic electronics

article published in 2006
Two-Photon Absorption in Linear Bis-dioxaborine Compounds—The Impact of Correlation-Induced Oscillator-Strength Redistribution

scientific article published on 01 July 2004
Structure-property relationships for three-photon absorption in stilbene-based dipolar and quadrupolar chromophores

scientific article published on 01 July 2006
Two-Photon Absorption in Quadrupolar Bis(acceptor)-Terminated Chromophores with Electron-Rich Bis(heterocycle)vinylene Bridges

Cross-section analysis of organic light-emitting diodes.

scientific article published in November 2004
Comment on “Electron Core-Hole Interaction and Its Induced Ionic Structural Relaxation in Molecular Systems under X-Ray Irradiation”

scientific article published in Physical Review Letters
Effective conjugation and Raman intensities in oligo(para-phenylene)s: A microscopic view from first-principles calculations

scientific article published on 01 March 2005
Anticorrelation between the Evolution of Molecular Dipole Moments and Induced Work Function Modifications

scientific article published on 26 September 2013
Exploring the driving forces behind the structural assembly of biphenylthiolates on Au(111).

scientific article published in July 2017
F4TCNQ on Cu, Ag, and Au as prototypical example for a strong organic acceptor on coinage metals

scholarly article in Physical Review B, vol. 79 no. 16, April 2009
Organic/metal interfaces in self-assembled monolayers of conjugated thiols: A first-principles benchmark study

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

scientific article published on 02 August 2018
First-principles study of the geometric and electronic structure ofAu13clusters: Importance of the prism motif

scholarly article in Physical Review B, vol. 77 no. 16, April 2008
Combined photoelectron and metastable atom electron spectroscopy study of n-doped oligophenylene thin films

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

scientific article published on 18 October 2017
Fully Atomistic Understanding of the Electronic and Optical Properties of a Prototypical Doped Charge-Transfer Interface.

scientific article published on 13 September 2017
Exciton Coupling and Conformational Changes Impacting the Excited State Properties of Metal Organic Frameworks

scientific article published on 15 September 2020
Order of Magnitude Effects of Thiazole Regioisomerism on the Near-IR Two-Photon Cross-Sections of Dipolar Chromophores

Determining Structures of Layer‐by‐Layer Spin‐Coated Zinc Dicarboxylate‐Based Metal‐Organic Thin Films

scientific article published on 17 June 2024
Electrostatic Design of Polar Metal-Organic Framework Thin Films

scientific article published on 03 December 2020
Controlling the electronic properties of van der Waals heterostructures by applying electrostatic design

Understanding the Origin of the Particularly Small and Anisotropic Thermal Expansion of MOF‐74

scientific article published in 2022
Twisted π-system electro-optic chromophores. A CIS vs. MRD-CI theoretical investigation

article by Shahar Keinan et al published August 2003 in Computational and Theoretical Chemistry
Efficient acceptor groups for NLO chromophores: competing inductive and resonance contributions in heterocyclic acceptors derived from 2-dicyanomethylidene-3-cyano-4,5,5-trimethyl-2,5-dihydrofuran

Improving the Stability of Polymer FETs by Introducing Fixed Acceptor Units into the Main Chain: Application to Poly(alkylthiophenes)

Electronic Structure of Self-Assembled Monolayers on Au(111) Surfaces: The Impact of Backbone Polarizability

Evaluating Computational Shortcuts in Supercell-Based Phonon Calculations of Molecular Crystals: The Instructive Case of Naphthalene

scientific article published on 24 March 2020
The Effect of Protonation on the Optical Properties of Conjugated Fluorene-Pyridine Copolymers

Interface Modification of Pentacene OFET Gate Dielectrics

scientific article published in 2009
Characterisation of a dipolar chromophore with third-harmonic generation applications in the near-IR

The Dielectric Constant of Self-Assembled Monolayers

Limitations of Essential-State Models for the Description of Two-Photon Absorption Processes: The Example of Bis(dioxaborine)-Substituted Chromophores†

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

scientific article published on 21 March 2019
Strategies for Controlling Through-Space Charge Transport in Metal-Organic Frameworks via Structural Modifications

scientific article published on 28 November 2020
Synthesis and Photophysical Properties of 3,6-Diphenyl-9-hexyl-9H-carbazole Derivatives Bearing Electron Withdrawing Groups

The Influence of UV Irradiation on Ketonic Defect Emission in Fluorene-Based Copolymers

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

scientific article published on 15 November 2011
A dithiocarbamate anchoring group as a flexible platform for interface engineering

scientific article published on 07 October 2019
Excited-state localization effects in alternating meta- and para-linked poly(phenylene-vinylene)s

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