Journal
NATURE COMMUNICATIONS
Volume 11, Issue 1, Pages -Publisher
NATURE PUBLISHING GROUP
DOI: 10.1038/s41467-020-17867-1
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Funding
- Guangdong Major Project of Basic and Applied Basic Research [2019B030302007]
- Ministry of Science and Technology of the People's Republic of China [2019YFA0705900, 2017YFA0206600]
- National Natural Science Foundation of China [51903095]
- China Postdoctoral Science Foundation [2017M622681, 2019T120727, 2019M662906]
- Fundamental Research Funds for the Central Universities [D2192160]
- Department of the Navy, Office of Naval Research [N00014-20-1-2110]
- University of Arizona
- DFG [BR 4031/13-1, SFB 953, 182849149]
- Aufbruch Bayern initiative of the state of Bavaria (EnCN)
- Bavarian Initiative Solar Technologies go Hybrid (SolTech)
- Research Grants Council of Hong Kong [16306319, 16304218, 16306117, AoE/P-02/12]
- State Key Laboratory of Luminescent Materials and Devices (South China University of Technology)
- Shenzhen Basic Research Fund [JCYJ20170818113905024]
- William Mong Institute of Nano Science and Technology [WMINST19/SC04]
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A major challenge for organic solar cell (OSC) research is how to minimize the tradeoff between voltage loss and charge generation. In early 2019, we reported a non-fullerene acceptor (named Y6) that can simultaneously achieve high external quantum efficiency and low voltage loss for OSC. Here, we use a combination of experimental and theoretical modeling to reveal the structure-property-performance relationships of this state-of-the-art OSC system. We find that the distinctive -pi molecular packing of Y6 not only exists in molecular single crystals but also in thin films. Importantly, such molecular packing leads to (i) the formation of delocalized and emissive excitons that enable small non-radiative voltage loss, and (ii) delocalization of electron wavefunctions at donor/acceptor interfaces that significantly reduces the Coulomb attraction between interfacial electron-hole pairs. These properties are critical in enabling highly efficient charge generation in OSC systems with negligible donor-acceptor energy offset. p id=Par Y6, as a non-fullerene acceptor for organic solar cells, has attracted intensive attention because of the low voltage loss and high charge generation efficiency. Here, Zhang et al. find that the delocalization of exciton and electron wavefunction due to strong pi-pi packing of Y6 is the key for the high performance.
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