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Photochemical upconversion is a promising way to boost the efficiency ofsolar cells using triplet exciton annihilation. Currently, predicting theperformance of photochemical upconversion devices is challenging. We present anopen source software package which takes experimental parameters as inputs andgives the figure of merit of an upconversion system, enabling theory-drivendesign of better solar energy devices. We incorporate the statisticaldistribution of triplet excitons between the sensitizer and the emitter. Usingthe dynamic quenching effect of the sensitizer on emitter triplet excitons, weshow that the optimal sensitizer concentration can be below the sensitizersolubility limit in liquid devices. These theoretical contributions canexplain, without use of heavy atom-induced triplet exciton formation or phenylgroup rotation, the experimental failure of zinc octaethylporphyrin toeffectively sensitize diphenylanthracene, where platinum octaethylporphyrinsucceeds. Our predictions indicate a change in direction for device design thatwill reduce triplet exciton losses.

Photochemical Upconversion Theory: Importance of Triplet Energy Levels and Triplet Quenching