38 citations · 101 across the 15 of their papers we have counts for
5 papers
Laser-Controlled Charge Transfer in a Two-Dimensional Organic/Inorganic Optical Coherent Nanojunction
Matheus Jacobs, Jannis Krumland, Caterina Cocchi
Understanding the fundamental mechanisms ruling laser-induced coherent charge transfer in hybrid organic/inorganic interfaces is of paramount importance to exploit these systems in…
Exploring the Cs-Te phase space via high-throughput density-functional theory calculations beyond the generalized-gradient approximation
Holger-Dietrich Saßnick, Caterina Cocchi
Boosted by the relentless increase of available computational resources, high-throughput calculations based on first principles methods have become a powerful tool to screen a huge…
Optical properties of azobenzene-functionalized self-assembled monolayers: Intermolecular coupling and many-body interactions
Caterina Cocchi, Thomas Moldt, Cornelius Gahl +2
In a joint theoretical and experimental work the optical properties of azobenzene-functionalized self-assembled monolayers (SAMs) are studied at different molecular packing densiti…
Ab initio Simulation of Optical Limiting: The Case of Metal-Free Phthalocyanine
Caterina Cocchi, Deborah Prezzi, Alice Ruini +2
We present a fully ab initio, non-perturbative description of the optical limiting properties of a metal-free phthalocyanine, by simulating the effects of a broadband electric fiel…
Designing all-graphene nanojunctions by covalent functionalization
Caterina Cocchi, Alice Ruini, Deborah Prezzi +2
We investigated theoretically the effect of covalent edge functionalization, with organic functional groups, on the electronic properties of graphene nanostructures and nano-juncti…