Organic Dye Design Tools for Efficient Photocurrent Generation in Dye‐Sensitized Solar Cells: Exciton Binding Energy and Electron Acceptors
dc.contributor.author | Kim, Bong‐gi | en_US |
dc.contributor.author | Zhen, Chang‐gua | en_US |
dc.contributor.author | Jeong, Eun Jeong | en_US |
dc.contributor.author | Kieffer, John | en_US |
dc.contributor.author | Kim, Jinsang | en_US |
dc.date.accessioned | 2012-05-21T15:47:46Z | |
dc.date.available | 2013-06-11T19:15:50Z | en_US |
dc.date.issued | 2012-04-24 | en_US |
dc.identifier.citation | Kim, Bong‐gi ; Zhen, Chang‐gua ; Jeong, Eun Jeong; Kieffer, John; Kim, Jinsang (2012). "Organic Dye Design Tools for Efficient Photocurrent Generation in Dyeâ Sensitized Solar Cells: Exciton Binding Energy and Electron Acceptors." Advanced Functional Materials 22(8): 1606-1612. <http://hdl.handle.net/2027.42/91137> | en_US |
dc.identifier.issn | 1616-301X | en_US |
dc.identifier.issn | 1616-3028 | en_US |
dc.identifier.uri | https://hdl.handle.net/2027.42/91137 | |
dc.description.abstract | The relationship between the exciton binding energies of several pure organic dyes and their chemical structures is explored using density functional theory calculations in order to optimize the molecular design in terms of the light‐to‐electric energy‐conversion efficiency in dye‐sensitized solar cell devices. Comparing calculations with measurements reveals that the exciton binding energy and quantum yield are inversely correlated, implying that dyes with lower exciton binding energy produce electric current from the absorbed photons more efficiently. When a strong electron‐accepting moiety is inserted in the middle of the dye framework, the light‐to‐electric energy‐conversion behavior significantly deteriorates. As verified by electronic‐structure calculations, this is likely due to electron localization near the electron‐deficient group. The combined computational and experimental design approach provides insight into the functioning of organic photosensitizing dyes for solar‐cell applications. This is exemplified by the development of a novel, all‐organic dye (EB‐01) exhibiting a power conversion efficiency of over 9%. A combined computational and experimental design approach provides insight into the functioning of organic photosensitizer dyes for solar cell applications. Comparing calculations with measurements reveals that the exciton binding energy and quantum yield are inversely correlated. When a strong electron‐accepting moiety is inserted in the middle of the dye framework, the light‐to‐electric energy conversion behavior significantly deteriorates. | en_US |
dc.publisher | WILEY‐VCH Verlag | en_US |
dc.subject.other | Structure‐Property Relationships | en_US |
dc.subject.other | Organic Electronics | en_US |
dc.subject.other | Solar Cells | en_US |
dc.title | Organic Dye Design Tools for Efficient Photocurrent Generation in Dye‐Sensitized Solar Cells: Exciton Binding Energy and Electron Acceptors | en_US |
dc.type | Article | en_US |
dc.rights.robots | IndexNoFollow | en_US |
dc.subject.hlbsecondlevel | Engineering (General) | en_US |
dc.subject.hlbsecondlevel | Materials Science and Engineering | en_US |
dc.subject.hlbtoplevel | Engineering | en_US |
dc.description.peerreviewed | Peer Reviewed | en_US |
dc.contributor.affiliationum | Macromolecular Science and Engineering, University of Michigan, Ann Arbor, MI 48109, USA. | en_US |
dc.contributor.affiliationum | Department of Material Science and Engineering, University of Michigan, Ann Arbor, MI 48109, USA | en_US |
dc.contributor.affiliationum | Chemical Engineering, University of Michigan, Ann Arbor, MI 48109, USA | en_US |
dc.contributor.affiliationum | Department of Material Science and Engineering, University of Michigan, Ann Arbor, MI 48109, USA | en_US |
dc.contributor.affiliationum | Macromolecular Science and Engineering, University of Michigan, Ann Arbor, MI 48109, USA | en_US |
dc.description.bitstreamurl | http://deepblue.lib.umich.edu/bitstream/2027.42/91137/1/adfm_201101961_sm_suppl.pdf | |
dc.description.bitstreamurl | http://deepblue.lib.umich.edu/bitstream/2027.42/91137/2/1606_ftp.pdf | |
dc.identifier.doi | 10.1002/adfm.201101961 | en_US |
dc.identifier.source | Advanced Functional Materials | en_US |
dc.identifier.citedreference | S. Hwang, J. H. Lee, C. Park, H. Lee, C. Kim, C. Park, M.‐H. Lee, W. Lee, J. Park, K. Kim, N.‐G. Park, C. Kim, Chem. Commun. 2007, 4887. | en_US |
dc.identifier.citedreference | T. Horiuchi, H. Miura, K. Sumioka, S. Uchida, J. Am. Chem. Soc. 2004, 126, 12218. | en_US |
dc.identifier.citedreference | S. Ito, S. M. Zakeeruddin, R. Humphry‐Baker, P. Liska, R. Charvet, P. Comte, M. K. Nazeeruddin, P. Péchy, M. Takata, H. Miura, S. Uchida, M. Grätzel, Adv. Mater. 2006, 18, 1202. | en_US |
dc.identifier.citedreference | H. Choi, C. Baik, S. O. Kang, J. Ko, M.‐S. Kang, M. K. Nazeeruddin, M. Grätzel, Angew. Chem. Int. Ed. 2008, 47, 327. | en_US |
dc.identifier.citedreference | C.‐H. Chen, Y.‐C. Hsu, H.‐H. Chou, K. R. J. Thomas, J. T. Lin, C.‐P. Hsu, Chem. Eur. J. 2010, 16, 3184. | en_US |
dc.identifier.citedreference | K. Hara, Z.‐S. Wang, Y. Cui, A. Furube, N. Koumura, Energy Environ. Sci. 2009, 2, 1109. | en_US |
dc.identifier.citedreference | Z.‐S. Wang, N. Koumura, Y. Cui, M. Takahashi, H. Sekiguchi, A. Mori, T. Kubo, A. Furube, K. Hara, Chem. Mater. 2008, 20, 3993. | en_US |
dc.identifier.citedreference | O. Kohle, M. Grätzel, A. F. Meyer, T. B. Meyer, Adv. Mater. 1997, 9, 904. | en_US |
dc.identifier.citedreference | D. Liu, R. W. Fessenden, G. L. Hug, P. V. Kamat, J. Phys. Chem. B 1997, 101, 2583. | en_US |
dc.identifier.citedreference | K. Hara, T. Sato, R. Katoh, A. Furube, Y. Ohga, A. Shinpo, S. Suga, K. Sayama, H. Sugihara, H. Arakawa, J. Phys. Chem. B 2003, 107, 597. | en_US |
dc.identifier.citedreference | M. Pastore, F. D. Angelis, ACS Nano 2010, 4, 556. | en_US |
dc.identifier.citedreference | H. Chen, H. Huang, X. Huang, J. N. Clifford, A. Forneli, E. Palomares, X. Zheng, L. Zheng, X. Wang, P. Shen, B. Zhao, S. Tan, J. Phys. Chem. C 2010, 114, 3280. | en_US |
dc.identifier.citedreference | M. Knupfer, Appl. Phys. A 2003, 77, 623. | en_US |
dc.identifier.citedreference | G. Li, K.‐J. Jiang, Y.‐F. Li, S.‐L. Li, L.‐M. Yang, J. Phys. Chem. C 2008, 112, 11591. | en_US |
dc.identifier.citedreference | S.‐L. Wang, T.‐I. Ho, J. Photochem. Photobiol. A 2000, 135, 119. | en_US |
dc.identifier.citedreference | R. Jose, A. Kumar, V. Thavasi, K. Fujihara, S. Uchida, S. Ramakrishna, Appl. Phys. Lett. 2008, 93, 023125. | en_US |
dc.identifier.citedreference | R. A. Marcus, N. Sutin, Biochim. Biophys. Acta 1985, 811, 265. | en_US |
dc.identifier.citedreference | S. Ito, H. Miura, S. Uchida, M. Takata, K. Sumioka, P. Liska, P. Comte, P. Pechy, M. Grätzel, Chem. Commun. 2008, 5194. | en_US |
dc.identifier.citedreference | G. Zhang, H. Bala, Y. Cheng, D. Shi, X. Lv, Q. Yu, P. Wang, Chem. Commun. 2009, 2198. | en_US |
dc.identifier.citedreference | M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman Jr., J. A. Montgomery, T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al‐Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople, Gaussian 03, Revision C.02, Gaussian, Inc., Wallingford CT, 2004. | en_US |
dc.identifier.citedreference | J. J. P. Stewart, J. Comput. Chem. 1989, 10, 209. | en_US |
dc.identifier.citedreference | A. D. Becke, J. Chem. Phys. 1993, 98, 5648. | en_US |
dc.identifier.citedreference | M. M. Francl, W. J. Pietro, W. J. Hehre, J. S. Binkley, M. S. Gordon, D. J. Defrees, J. A. Pople, J. Chem. Phys. 1982, 77, 3654. | en_US |
dc.identifier.citedreference | W. J. Hehre, R. Ditchfie, J. A. Pople, J. Chem. Phys. 1972, 56, 2257. | en_US |
dc.identifier.citedreference | B. A. Gregg, J. Phys. Chem. B 2003, 107, 4688. | en_US |
dc.identifier.citedreference | G. D. Scholes, G. Rumbles, Nat. Mater. 2006, 5, 683. | en_US |
dc.identifier.citedreference | C.‐G. Zhen, U. Becker, J. Kieffer, J. Phys. Chem. A 2009, 113, 9707. | en_US |
dc.identifier.citedreference | M. K. Nazeeruddin, F. De Angelis, S. Fantacci, A. Selloni, G. Viscardi, P. Liska, S. Ito, T. Bessho, M. Grätzel, J. Am. Chem. Soc. 2005, 127, 16835. | en_US |
dc.identifier.citedreference | B. O'Regan, M. Grätzel, Nature 1991, 353, 737. | en_US |
dc.identifier.citedreference | F. Gao, Y. Wang, D. Shi, J. Zhang, M. Wang, X. Jing, J. Am. Chem. Soc. 2008. 130, 10720. | en_US |
dc.identifier.citedreference | M. Grätzel, Prog. Photovoltaics 2006, 14, 429. | en_US |
dc.identifier.citedreference | M. K. Nazeeruddin, Coord. Chem. Rev. 2004, 248, 1161. | en_US |
dc.identifier.citedreference | N.‐G. Park, M. G. Kang, K. M. Kim, K. S. Ryu, S. H. Chang, D.‐K. Kim, J. Van de Lagemaat, K. D. Benkstein, A. J. Frank, Langmuir 2004, 20, 4246. | en_US |
dc.identifier.citedreference | T. A. Heimer, E. J. Heilweil, C. A. Bignozzi, G. J. Meyer, J. Phys. Chem. A 2000, 104, 4256. | en_US |
dc.identifier.citedreference | A. Hagfeldt, M. Grätzel, Acc. Chem. Res. 2000, 33, 269. | en_US |
dc.identifier.citedreference | M. Ye, X. Xin, C. Lin, Z. Lin, Nano Lett. 2011, 11, 3214. | en_US |
dc.identifier.citedreference | J. Wang, Z. Lin, Chem. Mater. 2010, 22, 579. | en_US |
dc.identifier.citedreference | H. Tian, X. Yang, R. Chen, R. Zhang, A. Hagfeldt, L. Sun, J. Phys. Chem. C 2008, 112, 11023. | en_US |
dc.identifier.citedreference | M. Liang, W. Xu, F. Cai, P. Chen, B. Peng, J. Chen, Z. Li, J. Phys. Chem. C 2007, 111, 4465. | en_US |
dc.identifier.citedreference | W. Zeng, Y. Cao, Y. Bai, Y. Wang, Y. Shi, M. Zhang, F. Wang, C. Pan, P. Wang, Chem. Mater. 2010, 22, 1915. | en_US |
dc.identifier.citedreference | K. Hara, Z. S. Wang, T. Sato, A. Furube, R. Katoh, H. Sugihara, Y. Dan‐oh, C. Kasada, A. Shinpo, S. Suga, J. Phys. Chem. B 2005, 109, 15476. | en_US |
dc.identifier.citedreference | Z.‐S. Wang, Y. Cui, K. Hara, Y. Dan‐oh, C. Kasada, A. Shinpo, Adv. Mater. 2007, 19, 1138. | en_US |
dc.identifier.citedreference | K. Sayama, K. Hara, N. Mori, M. Satsuki, S. Suga, S. Tsukagoshi, Y. Abe, H. Sugihara, H. Arakawa, Chem. Commun. 2000, 1173. | en_US |
dc.identifier.citedreference | M. O. Lenz, J. Wachtveitl, J. Phys. Chem. C 2008, 112, 11973. | en_US |
dc.owningcollname | Interdisciplinary and Peer-Reviewed |
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