Optical upconversion (UC) of low energy photons into high energy photons enables solar cells to harvest photons with energies below the band gap of the absorber, reducing the transmission loss. UC based on triplet–triplet annihilation (TTA) in organic chromophores can upconvert photons from sunlight, albeit with low conversion efficiency. We utilize three energy-based criteria to assess the UC potential of TTA emitters in terms of the quantum yield (QY) and the anti-Stokes shift. The energy loss in the singlet pathway of an emitter encounter complex, where a high energy photon is emitted, determines whether a chromophore may undergo TTA. The energy loss in the triplet pathway, which is the main competing process, impacts the TTA QY. The energy difference between the lowest singlet and triplet excitation states in TTA emitters sets an upper bound for the anti-Stokes shift of TTA-UC. Using the energetic criteria evaluated by time-dependent density functional theory (TDDFT) calculations, we find that benzo[ a ]tetracene, benzo[ a ]pyrene, and their derivatives are promising TTA emitters. The energetics assessment and computer simulations could be used to efficiently discover and design more candidate high-performance TTA emitters. 
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                            Side chain engineering in indacenodithiophene- co -benzothiadiazole and its impact on mixed ionic–electronic transport properties
                        
                    
    
            This well-studied polymer system does not conform to existing design criteria for imparting mixed conduction. The reasons for this anomalous behaviour are unravelled and used to outline more robust design criteria for new organic semiconductors. 
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                            - Award ID(s):
- 1751308
- PAR ID:
- 10548141
- Publisher / Repository:
- RSC
- Date Published:
- Journal Name:
- Journal of Materials Chemistry C
- Volume:
- 12
- Issue:
- 10
- ISSN:
- 2050-7526
- Page Range / eLocation ID:
- 3686 to 3697
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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