58 citations · 257 across the 17 of their papers we have counts for
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Polarization Resolved Optical Excitation of Charge-Transfer Excitons in PEN:PFP Co-Crystalline Films: Limits of Non-Periodic Modelling
Darius Günder, Ana M. Valencia, Michele Guerrini +3
Charge-transfer excitons (CTX) at organic donor/acceptor interfaces are considered important intermediates for charge separation in photovoltaic devices. Crystalline model systems…
First-principles analysis of the optical properties of lead halide perovskite solution precursors
Giovanni Procida, Richard Schier, Ana M. Valencia +1
Lead halide perovskites (LHPs) are promising materials for opto-electronics and photovoltaics, thanks to favorable characteristics and low manufacturing costs enabled by solution p…
Formation of lead halide perovskite precursors in solution: Insight from electronic-structure theory
Richard Schier, Alejandro Conesa Rodriguez, Ana M. Valencia +1
Understanding the formation of lead halide (LH) perovskite solution precursors is crucial to gain insight into the evolution of these materials to thin films for solar cells. Using…
Long-Range Order Promotes Charge-Transfer Excitations in Donor/Acceptor Co-Crystals
Michele Guerrini, Ana M. Valencia, Caterina Cocchi
Electronic and optical properties of doped organic semiconductors are dominated by local interactions between donor and acceptor molecules. However, when such systems are in crysta…
Exploring organic semiconductors in solution: The effects of solvation, alkylization, and doping
Jannis Krumland, Ana M. Valencia, Caterina Cocchi
The first-principles simulation of the electronic structure of organic semiconductors in solution poses a number of challenges that are not trivial to address simultaneously. In th…