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Searching proper oligothiophene segment as centre donor moiety for isoindigo-based small molecular photovoltaic materials
Affiliation:1. Engineering Research Centre of Zhengzhou for High Performance Organic Functional Materials, Zhongzhou University, 6 Yingcai Street, Huiji District, Zhengzhou, 450044, China;2. Key Laboratory of Synthetic and Self-Assembly Chemistry for Organic Functional Molecules, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, 345 Lingling Road, Shanghai, 200032, China;3. Department of Chemistry, Zhejiang Sci-Tech University, Hangzhou, 310018, China;4. Department of Polymer Science and Engineering, Zhejiang University, Hangzhou, 310027, China;1. Department of Physics, Ajou University, Suwon 443-749, South Korea;2. Department of Energy Systems Research, Ajou University, Suwon 443-749, South Korea;1. Faculty of Mathematics and Physics, Huaiyin Institute of Technology, Huai''an, 223003, PR China;2. Institut für Physik, Humboldt-Universität zu Berlin, Brook-Taylor-Straße 6, 12489, Berlin, Germany;3. Department of Materials Science and Engineering, Monash University, Clayton, Victoria, 3800, Australia;4. Faculty of Mechanical Engineering, Huaiyin Institute of Technology, Huai''an, 223003, PR China;5. Jiangsu Key Laboratory for Environment Functional Materials, School of Chemical Biology and Materials Engineering, Suzhou University of Science and Technology, Suzhou, 215009, PR China;1. State Key Laboratory of Coordination Chemistry, Collaborative Innovation Center of Advanced Microstructures, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210093, People''s Republic of China;2. State Key Laboratory of Rare Earth Resource Utilization, Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun 130022, People''s Republic of China;1. Beijing National Laboratory for Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, PR China;2. University of Chinese Academy of Sciences, Beijing 100049, PR China
Abstract:Systematic studies on a family of photovoltaic molecules are important for fundamentally understanding the basic principles and the key structural factors that govern their photovoltaic performance. In this work, a series of D2-A-D1-A-D2 type small molecules with isoindigo as acceptor (A), oligothiophene as donor (D1), and 5-hexyl thiophene as D2 were designed, synthesized and studied. The number of thiophene unit in oligothiophene segment is systematically varied from 0 to 4. It has been found this structural parameter have significant influence on their phase transition behaviours, light absorption properties, frontier orbital energy levels, molecular packing structures in both neat and blending films with 6,6]-phenyl-C61-butyric acid methyl ester (PC61BM), charge mobility, phase separation morphology, and as well as photovoltaic performances. The compounds bearing odd number of thiophene unit displayed much better photovoltaic performance than those having even number, while the best performance was given by that having terthiophene as D1 unit.
Keywords:Organic solar cell  Small photovoltaic molecule  Isoindigo  Donor-acceptor conjugated polymer  Structure-property relationship
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