Abstract
As a route to improving the energy conversion of organic-inorganic hybrid-solar cells, we have tested the performance of poly (phenylene vinylene) (PPV), poly(2,5-thienylene vinylene) (PWTV) polymers and CdTe nanocrystal devices produced via aqueous-processing. It is found that small differences in the conformation of the sensitizer lead to dramatic effects on the solar cell efficiency. Using a combination of UV-Vis absorption spectroscopy and first-principles non-adiabatic molecular dynamics (NAMD) based on time-dependent density-functional theory (TDDFT), PPV is found to have a longer electron injection and recombination time despite seeming to have a better energy alignment with the substrate, which leads to a higher devices performance than PWTV. The present results shed new light on the understanding of organic-inorganic hybrid-solar cells and will trigger further experimental and theoretical investigations.
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This work was supported by the National Natural Science Foundation of China (51433003) and the National Basic Research Program of China (2014CB643503).
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A combined experimental and theoretical investigation of donor and acceptor interface in efficient aqueous-processed polymer/nanocrystal hybrid solar cells
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Lu, S., Ma, W., Jin, G. et al. A combined experimental and theoretical investigation of donor and acceptor interface in efficient aqueous-processed polymer/nanocrystal hybrid solar cells. Sci. China Chem. 61, 437–443 (2018). https://doi.org/10.1007/s11426-017-9177-x
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DOI: https://doi.org/10.1007/s11426-017-9177-x