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Mapping the Relation between Stacking Geometries and Singlet Fission Yield in a Class of Organic Crystals
Ist Teil von
The journal of physical chemistry letters, 2013-04, Vol.4 (7), p.1065-1069
Ort / Verlag
United States: American Chemical Society
Erscheinungsjahr
2013
Quelle
Alma/SFX Local Collection
Beschreibungen/Notizen
By generating two free charge carriers from a single high-energy photon, singlet fission (SF) promises to significantly improve the efficiency of a class of organic photovoltaics (OPVs). However, SF is generally a very inefficient process with only a small number of absorbed photons successfully converting into triplet states. In this Letter, we map the relation between stacking geometry and SF yield in crystals based on perylenediimide (PDI) derivatives. This structure–function analysis provides a potential explanation for the SF yield discrepancies observed among similar molecular crystals and may help to identify favorable geometries that lead to an optimal SF yield. Exploring the subtle relationship between stacking geometry and SF yield, this Letter suggests using crystal structure engineering to improve the design of SF-based OPVs.