64 citations · 86 across the 3 of their papers we have counts for
3 papers
Quantitative Predictions of Photoelectron Spectra in Amorphous Molecular Solids from Multiscale Quasiparticle Embedding
Gianluca Tirimbo, Xander de Vries, Christ H. L. Weijtens +3
We present a first-principles-based multiscale simulation framework for quantitative predictions of the high-energy part of the Ultraviolet Photoelectron Spectroscopy (UPS) spectra…
First-principles study of the dipole layer formation at metal-organic interfaces
Paul C. Rusu, Gianluca Giovannetti, Christ Weijtens +2
We study the dipole layer formed at metal-organic interfaces by means of first-principles calculations. Interface dipoles are monitored by calculating the work function change of A…
Interrelation of work function and surface stability: the case of BaAl4
M. A. Uijttewaal, G. A. de Wijs, R. A. de Groot +3
The relationship between the work function (Phi) and the surface stability of compounds is, to our knowledge, unknown, but very important for applications such as organic light-emi…