Impact of side-chain deuteration on the molecular stacking and photovoltaic performance of non-fullerene acceptors
Literature Information
Liang Zeng, Ming Zhang, Mengyuan Gao, Lingwei Xue, Haiqiao Wang, Zhi-Guo Zhang, Long Ye
The deuterium isotope effect plays a profound role in revealing the kinetics and mechanisms of organic reactions, as well as the hole/electron transport behaviors of semiconductors, yet the application of the deuterium isotope effect in organic solar cells has not been fully explored due to the challenging nature of synthesis. Here, we aim at addressing this conundrum by designing and synthesizing two asymmetric non-fullerene acceptors, BTP-POE-H and BTP-POE-D. Particularly, the effect of deuterium isotope effects on their optoelectronic properties and photovoltaic properties was investigated. Attractively, a higher power conversion efficiency (PCE) of 16.5% and an impressive fill factor of 78% were achieved for the deuterated acceptor BTP-POE-D compared to the control BTP-POE-H under the same conditions. The high fill factor of BTP-POE-D based devices can be attributed to their higher and more balanced charge transport, weaker bimolecular recombination, more ordered molecular stacking and suitable length scale of phase separation, as revealed by grazing incidence X-ray diffraction and transmission electron microscopy measurements. These results not only advance our understanding of the structure–performance relationships of deuterium-substituted acceptors, but also provide a new avenue to design high-performance nonfullerene acceptors.
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Journal of Materials Chemistry A

Journal of Materials Chemistry A, B & C cover high quality studies across all fields of materials chemistry. The journals focus on those theoretical or experimental studies that report new understanding, applications, properties and synthesis of materials. The journals have a strong history of publishing quality reports of interest to interdisciplinary communities and providing an efficient and rigorous service through peer review and publication. The journals are led by an international team of Editors-in-Chief and Associate Editors who are all active researchers in their fields. Journal of Materials Chemistry A, B & C are separated by the intended application of the material studied. Broadly, applications in energy and sustainability are of interest to Journal of Materials Chemistry A, applications in biology and medicine are of interest to Journal of Materials Chemistry B, and applications in optical, magnetic and electronic devices are of interest to Journal of Materials Chemistry C. More than one Journal of Materials Chemistry journal may be suitable for certain fields and researchers are encouraged to submit their paper to the journal that they feel best fits for their particular article. Example topic areas within the scope of Journal of Materials Chemistry A are listed below. This list is neither exhaustive nor exclusive. Artificial photosynthesis Batteries Carbon dioxide conversion Catalysis Fuel cells Gas capture/separation/storage Green/sustainable materials Hydrogen generation Hydrogen storage Photocatalysis Photovoltaics Self-cleaning materials Self-healing materials Sensors Supercapacitors Thermoelectrics Water splitting Water treatment












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