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Q2002B Modeling of molecular systems, Dec 2025
Computational evaluation of DPP-based donor–acceptor systems for organic solar cells
AUTHORS
Ari Emilio Núñez Menéndez
SimulationEnergy
Summary
Q2002B Modeling of molecular systems
[SUMMARY PENDING]
What I did
What I did
DFT (PBE/def2-SVP) and TD-DFT (CAM-B3LYP) of five diketopyrrolopyrrole derivatives.
Key results
Key results
Eopt 2.45–2.87 eV, candidates B, D and E
Key result
Figures
Figures
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dpp-celdas-solares-organicas-2025.pdf