caa a22 4500 605451303 CHVBK 20210128100150.0 cr unu---uuuuu 210128e20150301xx s 000 0 eng 10.1007/s11237-015-9395-9 doi (NATIONALLICENCE)springer-10.1007/s11237-015-9395-9 Effect of the Structure of Polymethine Dyes on Their Photovoltaic Properties in Polymer Films [Elektronische Daten] [G. Bulavko, N. Davidenko, N. Derevyanko, A. Ishchenko, A. Kulinich] The photovoltaic properties of a wide selection of structures based on cationic and anionic polycarbocyanines in polymeric matrices were investigated. It was shown that the sign of the electric potential (photo-emf) is reversed during the transition from a photoconductive polymer to a nonphotoconductive polymer. It was established that the magnitude of the photovoltaic response depends on the electron-donating ability of the terminal groups, the length of the polymethine chain, the charge of the chromophoric ion, and the type of polymeric matrix. The experimental data were analyzed by quantum-chemical calculations on the ions of the dyes and the elementary unit of the polymer using the nonempirical DFT/B3LYP method in the 6-31G(d,p) basis set. Springer Science+Business Media New York, 2015 organic photovoltaic nationallicence polymethine dyes nationallicence photoconductive and nonphotoconductive polymers nationallicence electron phototransfer nationallicence electron-donating ability nationallicence orbital energy nationallicence Bulavko G. Taras Shevchenko National University of Kyiv, Vul. Volodymyrs'ka, 64, 01601, Kyiv, Ukraine aut Davidenko N. Taras Shevchenko National University of Kyiv, Vul. Volodymyrs'ka, 64, 01601, Kyiv, Ukraine aut Derevyanko N. Institute of Organic Chemistry, National Academy of Sciences of Ukraine, Vul. Murmans'ka, 5, 02660, Kyiv, Ukraine aut Ishchenko A. Institute of Organic Chemistry, National Academy of Sciences of Ukraine, Vul. Murmans'ka, 5, 02660, Kyiv, Ukraine aut Kulinich A. Institute of Organic Chemistry, National Academy of Sciences of Ukraine, Vul. Murmans'ka, 5, 02660, Kyiv, Ukraine aut Theoretical and Experimental Chemistry Springer US; http://www.springer-ny.com 51/1(2015-03-01), 37-44 0040-5760 51:1<37 2015 51 11237 https://doi.org/10.1007/s11237-015-9395-9 text/html Onlinezugriff via DOI BK010053 XK010053 XK010000 Metadata rights reserved Springer special CC-BY-NC licence nationallicence 1 research-article jats NATIONALLICENCE NATIONALLICENCE NL-springer NATIONALLICENCE 856 40 https://doi.org/10.1007/s11237-015-9395-9 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Bulavko G. Taras Shevchenko National University of Kyiv, Vul. Volodymyrs'ka, 64, 01601, Kyiv, Ukraine aut NATIONALLICENCE 700 1- Davidenko N. Taras Shevchenko National University of Kyiv, Vul. Volodymyrs'ka, 64, 01601, Kyiv, Ukraine aut NATIONALLICENCE 700 1- Derevyanko N. Institute of Organic Chemistry, National Academy of Sciences of Ukraine, Vul. Murmans'ka, 5, 02660, Kyiv, Ukraine aut NATIONALLICENCE 700 1- Ishchenko A. Institute of Organic Chemistry, National Academy of Sciences of Ukraine, Vul. Murmans'ka, 5, 02660, Kyiv, Ukraine aut NATIONALLICENCE 700 1- Kulinich A. Institute of Organic Chemistry, National Academy of Sciences of Ukraine, Vul. Murmans'ka, 5, 02660, Kyiv, Ukraine aut NATIONALLICENCE 773 0- Theoretical and Experimental Chemistry Springer US; http://www.springer-ny.com 51/1(2015-03-01), 37-44 0040-5760 51:1<37 2015 51 11237