Density Functional Theoretical Study on the Interchain Packing in Thiophene-Benzothiadiazole Based Polymers

DOI QR Code

Woo, Han Young (Department of Cogno-Mechatronics Engineering, Pusan National University) ;
Lee, Wonho (Department of Cogno-Mechatronics Engineering, Pusan National University) ;
Hwang, Sungu (Department of Applied Nanoscience, Pusan National University)

Kim, J. Y.; Lee, K.; Coates, N. E.; Moses, D.; Nguyen, T.-Q.; Dante, M.; Heeger, A. J. Science 2007, 317, 222. https://doi.org/10.1126/science.1141711
Lee, W.; Choi, H.; Hwang, S.; Kim, J. Y.; Woo, H. Y. Chem. Eur. J. 2012, 18, 2551. https://doi.org/10.1002/chem.201102883
Jaguar v7.5; Schrodinger, LLC: New York, NY, 2008.
DiCesare, N.; Belletete, M.; Marrano, C.; Leclerc, M.; Durocher, G. J. Phys. Chem. A 1998, 102, 5142. https://doi.org/10.1021/jp9812031
Meille, S. V.; Farina, A.; Vezziccheri, F.; Gallazzi, M. C. Adv. Mater. 1994, 6, 848. https://doi.org/10.1002/adma.19940061109
Zotti, G.; Gallazzi, M. C.; Zerbi, G.; Meille, S. V. Synth. Met. 1995, 73, 217. https://doi.org/10.1016/0379-6779(95)80019-0
Gao, X.; S., K. F.; Jenekhe, S. A.; Watson, M. D. J. Am. Chem. Soc. 2009, 131, 7206. https://doi.org/10.1021/ja810050y
Roncali, J.; Blanchard, P.; Frere, P. J. Mater. Chem. 2005, 15, 1589. https://doi.org/10.1039/b415481a
Chen, H.-Y.; Hou, J.; Hayden, A. E.; Yang, H.; Houk, K. N.; Yang, Y. Adv. Mater. 2010, 22, 371. https://doi.org/10.1002/adma.200902469

Density Functional Theoretical and Time-dependent Density Functional Theoretical Study on Thiophene-Benzothiadiazole-based Polymers vol.36, pp.1, 2015, https://doi.org/10.1002/bkcs.10069