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

Por Egger, David A., Zojer, Egbert
Publicado em 2013

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

Por Obersteiner, Veronika, Egger, David A., Zojer, Egbert
Publicado no J Phys Chem C Nanomater Interfaces (2015)

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

Por Kretz, Bernhard, Egger, David A., Zojer, Egbert
Publicado no Adv Sci (Weinh) (2015)

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

Por Egger, David A, Kronik, Leeor, Rappe, Andrew M
Publicado no Angew Chem Int Ed Engl (2015)

Hybrid Organic–Inorganic Perovskites on the Move

Por Egger, David A., Rappe, Andrew M., Kronik, Leeor
Publicado no Acc Chem Res (2016)

The Electronic Structure of Mixed Self-Assembled Monolayers

Por Rissner, Ferdinand, Egger, David A., Romaner, Lorenz, Heimel, Georg, Zojer, Egbert
Publicado em 2010

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

Por Egger, David A., Liu, Zhen-Fei, Neaton, Jeffrey B., Kronik, Leeor
Publicado no Nano Lett (2015)

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

Por Rissner, Ferdinand, Natan, Amir, Egger, David A., Hofmann, Oliver T., Kronik, Leeor, Zojer, Egbert
Publicado em 2012

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

Por Rissner, Ferdinand, Egger, David A., Natan, Amir, Körzdörfer, Thomas, Kümmel, Stephan, Kronik, Leeor, Zojer, Egbert
Publicado em 2011

Understanding Structure and Bonding of Multilayered Metal–Organic Nanostructures

Por Egger, David A., Ruiz, Victor G., Saidi, Wissam A., Bučko, Tomáš, Tkatchenko, Alexandre, Zojer, Egbert
Publicado em 2013

Adsorption Behavior of Nonplanar Phthalocyanines: Competition of Different Adsorption Conformations

Por Wruss, Elisabeth, Hofmann, Oliver T., Egger, David A., Verwüster, Elisabeth, Gerlach, Alexander, Schreiber, Frank, Zojer, Egbert
Publicado no J Phys Chem C Nanomater Interfaces (2016)

Transition voltages respond to synthetic reorientation of embedded dipoles in self-assembled monolayers

Por Kovalchuk, Andrii, Abu-Husein, Tarek, Fracasso, Davide, Egger, David A., Zojer, Egbert, Zharnikov, Michael, Terfort, Andreas, Chiechi, Ryan C.
Publicado no Chem Sci (2016)

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

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

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

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

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

Por 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
Publicado no J Phys Chem Lett (2016)

Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites

Por Wu, Xiaoxi, Tan, Liang Z., Shen, Xiaozhe, Hu, Te, Miyata, Kiyoshi, Trinh, M. Tuan, Li, Renkai, Coffee, Ryan, Liu, Shi, Egger, David A., Makasyuk, Igor, Zheng, Qiang, Fry, Alan, Robinson, Joseph S., Smith, Matthew D., Guzelturk, Burak, Karunadasa, Hemamala I., Wang, Xijie, Zhu, Xiaoyang, Kronik, Leeor, Rappe, Andrew M., Lindenberg, Aaron M.
Publicado no Sci Adv (2017)