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

by Egger, David A., Zojer, Egbert
Published 2013

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

by Kretz, Bernhard, Egger, David A., Zojer, Egbert
Published 2015

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

by Obersteiner, Veronika, Egger, David A., Zojer, Egbert
Published 2015

Theory of Hydrogen Migration in Organic–Inorganic Halide Perovskites**

by Egger, David A, Kronik, Leeor, Rappe, Andrew M
Published 2015

Hybrid Organic–Inorganic Perovskites on the Move

by Egger, David A., Rappe, Andrew M., Kronik, Leeor
Published 2016

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

by Rissner, Ferdinand, Egger, David A., Natan, Amir, Körzdörfer, Thomas, Kümmel, Stephan, Kronik, Leeor, Zojer, Egbert
Published 2011

Understanding Structure and Bonding of Multilayered Metal–Organic Nanostructures

by Egger, David A., Ruiz, Victor G., Saidi, Wissam A., Bučko, Tomáš, Tkatchenko, Alexandre, Zojer, Egbert
Published 2013

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

by Rissner, Ferdinand, Natan, Amir, Egger, David A., Hofmann, Oliver T., Kronik, Leeor, Zojer, Egbert
Published 2012

Adsorption Behavior of Nonplanar Phthalocyanines: Competition of Different Adsorption Conformations

by Wruss, Elisabeth, Hofmann, Oliver T., Egger, David A., Verwüster, Elisabeth, Gerlach, Alexander, Schreiber, Frank, Zojer, Egbert
Published 2016

Reliable Energy Level Alignment at Physisorbed Molecule–Metal Interfaces from Density Functional Theory

by Egger, David A., Liu, Zhen-Fei, Neaton, Jeffrey B., Kronik, Leeor
Published 2015

Effect of Molecule–Surface Reaction Mechanism on the Electronic Characteristics and Photovoltaic Performance of Molecularly Modified Si

by Yaffe, Omer, Ely, Tal, Har-Lavan, Rotem, Egger, David A., Johnston, Steve, Cohen, Hagai, Kronik, Leeor, Vilan, Ayelet, Cahen, David
Published 2013

Outer-valence Electron Spectra of Prototypical Aromatic Heterocycles from an Optimally Tuned Range-Separated Hybrid Functional

by Egger, David A., Weissman, Shira, Refaely-Abramson, Sivan, Sharifzadeh, Sahar, Dauth, Matthias, Baer, Roi, Kümmel, Stephan, Neaton, Jeffrey B., Zojer, Egbert, Kronik, Leeor
Published 2014

Valence and Conduction Band Densities of States of Metal Halide Perovskites: A Combined Experimental–Theoretical Study

by Endres, James, Egger, David A., Kulbak, Michael, Kerner, Ross A., Zhao, Lianfeng, Silver, Scott H., Hodes, Gary, Rand, Barry P., Cahen, David, Kronik, Leeor, Kahn, Antoine
Published 2016