A combined experimental and theoretical investigation of donor and acceptor interface in efficient aqueous-processed polymer/nanocrystal hybrid solar cells |
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| Authors: | Siyu Lu Wei Ma Gan Jin Qingsen Zeng Xiaolei Feng Tanglue Feng Hanyu Liu Sheng Meng Simon A. T. Redfern Bai Yang |
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| Affiliation: | 1.State Key Laboratory of Supramolecular Structure and Materials, College of Chemistry,Jilin University,Changchun,China;2.College of Chemistry and Molecular Engineering,Zhengzhou University,Zhengzhou,China;3.Ningxia Key Laboratory of Photovoltaic Materials,Ningxia University,Yinchuan,China;4.Geophysical Laboratory,Carnegie Institution of Washington,Washington DC,USA;5.Beijing National Laboratory for Condensed Matter Physics, and Institute of Physics,Chinese Academy of Sciences,Beijing,China;6.Department of Earth Sciences,University of Cambridge,Cambridge,UK |
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| 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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