90 citations · 185 across the 5 of their papers we have counts for
5 papers
Modeling X-ray Photoelectron Spectroscopy of Macromolecules Using GW
Laura Galleni, Faegheh S. Sajjadian, Thierry Conard +3
We propose a simple additive approach to simulate X-ray photoelectron spectra (XPS) of macromolecules based on the method. Single-shot () is a promising technique…
General Approach To Compute Phosphorescent OLED Efficiency
Xu Zhang, Denis Jacquemin, Qian Peng +2
Phosphorescent organic light-emitting diodes (PhOLEDs) are widely used in the display industry. In PhOLEDs, cyclometalated Ir(III) complexes are the most widespread triplet emitter…
Facial and Meridional Isomers of Tris(bidentate) Ir(III) Complexes: Unravelling Their Different Excited State Reactivity
Sylvio Arroliga-Rocha, Daniel Escudero
The use of tris(bidentate) Ir(III) complexes as light active components in phosphorescent organic light-emitting diodes (PhOLEDs) is currently the state-of-the-art technology to at…
Thermal equilibration between excited states or solvent effects: unveiling the origins of anomalous emissions in heteroleptic Ru(II) complexes
Denis Jacquemin, Daniel Escudero
In this manuscript we present a computational study on the photoluminescence properties of several heteroleptic [Ru(H)(CO)(N^N)(tpp)2]+ complexes (tpp = triphenylphosphine). A spec…
Modelling the photochrome-TiO2 interface with Bethe-Salpeter and TD-DFT methods
Daniel Escudero, Ivan Duchemin, Xavier Blase +1
Hybrid organic/inorganic-semiconductor systems have important applications in both molecular electronics and in photo-responsive materials. The characterization of the interface an…