77 citations · 715 across the 63 of their papers we have counts for
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Electronic and Optical Properties of Oligothiophene-F4TCNQ Charge-Transfer Complexes: The Role of Donor Conjugation Length
Ana M. Valencia, Caterina Cocchi
We investigate from first-principles many-body theory the role of the donor conjugation length in doped organic semiconductors forming charge-transfer complexes (CTCs) exhibiting p…
Interplay between Intra- and Intermolecular Charge Transfer in the Optical Excitations of J-Aggregates
Michele Guerrini, Caterina Cocchi, Arrigo Calzolari +2
In a first-principles study based on density functional theory and many-body perturbation theory, we address the interplay between intra- and intermolecular interactions in a J-agg…
Electronic and optical excitations of two-dimensional ZrS and HfS and their heterostructure
Ka Wai Lau, Caterina Cocchi, Claudia Draxl
In a first-principles study based on density-functional theory and many-body perturbation theory we investigate the electronic properties and the optical excitations of ZrS and…
Impact of Polarity on the Anisotropic Diffusion of Conjugated Organic Molecules on (10-10) Zinc Oxide Surface
Mila Miletic, Karol Palczynski, Matheus Jacobs +3
We study the influence of polarity on the binding and diffusion of single conjugated organic molecules on the inorganic (10-10) zinc oxide surface by means of all-atom molecular dy…