메뉴 건너뛰기




Volumn 117, Issue 10, 2013, Pages 4920-4930

Ab initio study of a molecular crystal for photovoltaics: Light absorption, exciton and charge carrier transport

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; BULK HETEROJUNCTION ORGANIC SOLAR CELLS; EXCITON DIFFUSION LENGTH; FIRST-PRINCIPLES APPROACHES; ORDERS OF MAGNITUDE; POWER CONVERSION; SINGLE-CRYSTAL X-RAY DIFFRACTION STUDIES; SOLID STATE ELECTRONICS;

EID: 84875206494     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp310855p     Document Type: Article
Times cited : (49)

References (79)
  • 1
  • 2
    • 79954612131 scopus 로고    scopus 로고
    • Outlook Brightens for Plastic Solar Cells
    • Service, R. F. Outlook Brightens for Plastic Solar Cells Science 2011, 332, 293
    • (2011) Science , vol.332 , pp. 293
    • Service, R.F.1
  • 3
    • 77953904913 scopus 로고    scopus 로고
    • Semiconducting Polymers: The Third Generation
    • Heeger, A. J. Semiconducting Polymers: The Third Generation Chem. Soc. Rev. 2010, 39, 2354-2371
    • (2010) Chem. Soc. Rev. , vol.39 , pp. 2354-2371
    • Heeger, A.J.1
  • 7
    • 73249138888 scopus 로고    scopus 로고
    • Synthesis of Conjugated Polymers for Organic Solar Cell Applications
    • Cheng, Y.-J.; Yang, S.-H.; Hsu, C.-S. Synthesis of Conjugated Polymers for Organic Solar Cell Applications Chem. Rev. 2009, 109, 5868-5923
    • (2009) Chem. Rev. , vol.109 , pp. 5868-5923
    • Cheng, Y.-J.1    Yang, S.-H.2    Hsu, C.-S.3
  • 8
    • 34248396741 scopus 로고    scopus 로고
    • Conjugated Polymer-Based Organic Solar Cells
    • Günes, S.; Neugebauer, H.; Sariciftci, N. S. Conjugated Polymer-Based Organic Solar Cells Chem. Rev. 2007, 107, 1324-1338
    • (2007) Chem. Rev. , vol.107 , pp. 1324-1338
    • Günes, S.1    Neugebauer, H.2    Sariciftci, N.S.3
  • 9
    • 66149116003 scopus 로고    scopus 로고
    • Recent Progress in Polymer Solar Cells: Manipulation of Polymer:Fullerene Morphology and the Formation of Efficient Inverted Polymer Solar Cells
    • Chen, L.-M.; Hong, Z.; Li, G.; Yang, Y. Recent Progress in Polymer Solar Cells: Manipulation of Polymer:Fullerene Morphology and the Formation of Efficient Inverted Polymer Solar Cells Adv. Mater. 2009, 21, 1434-1449
    • (2009) Adv. Mater. , vol.21 , pp. 1434-1449
    • Chen, L.-M.1    Hong, Z.2    Li, G.3    Yang, Y.4
  • 10
    • 72849116792 scopus 로고    scopus 로고
    • Development of Novel Conjugated Donor Polymers for High-Efficiency Bulk-Heterojunction Photovoltaic Devices
    • Chen, J.; Cao, Y. Development of Novel Conjugated Donor Polymers for High-Efficiency Bulk-Heterojunction Photovoltaic Devices Acc. Chem. Res. 2009, 42, 1709-1718
    • (2009) Acc. Chem. Res. , vol.42 , pp. 1709-1718
    • Chen, J.1    Cao, Y.2
  • 11
    • 77957798658 scopus 로고    scopus 로고
    • Polyphenylene-Based Materials for Organic Photovoltaics
    • Li, C.; Liu, M.; Pschirer, N. G.; Baumgarten, M.; Müllen, K. Polyphenylene-Based Materials for Organic Photovoltaics Chem. Rev. 2010, 110, 6817-6855
    • (2010) Chem. Rev. , vol.110 , pp. 6817-6855
    • Li, C.1    Liu, M.2    Pschirer, N.G.3    Baumgarten, M.4    Müllen, K.5
  • 14
    • 83755168929 scopus 로고    scopus 로고
    • Molecular Design and Ordering Effects in π-Functional Materials for Transistor and Solar Cell Applications
    • Beaujuge, P. M.; Fréchet, J. M. J. Molecular Design and Ordering Effects in π-Functional Materials for Transistor and Solar Cell Applications J. Am. Chem. Soc. 2011, 133, 20009-20029
    • (2011) J. Am. Chem. Soc. , vol.133 , pp. 20009-20029
    • Beaujuge, P.M.1    Fréchet, J.M.J.2
  • 15
    • 80055062481 scopus 로고    scopus 로고
    • Organic Solar Cells: A New Look at Traditional Models
    • Servaites, J. D.; Ratner, M. A.; Marks, T. J. Organic Solar Cells: A New Look at Traditional Models Energy Environ. Sci. 2011, 4, 4410-4422
    • (2011) Energy Environ. Sci. , vol.4 , pp. 4410-4422
    • Servaites, J.D.1    Ratner, M.A.2    Marks, T.J.3
  • 16
    • 66149086912 scopus 로고    scopus 로고
    • Polymer-Fullerene Bulk-Heterojunction Solar Cells
    • Dennler, G.; Scharber, M. C.; Brabec, C. J. Polymer-Fullerene Bulk-Heterojunction Solar Cells Adv. Mater. 2009, 21, 1323-1338
    • (2009) Adv. Mater. , vol.21 , pp. 1323-1338
    • Dennler, G.1    Scharber, M.C.2    Brabec, C.J.3
  • 17
    • 72849108485 scopus 로고    scopus 로고
    • Molecular Understanding of Organic Solar Cells: The Challenges
    • Brédas, J.-L.; Norton, J. E.; Cornil, J.; Coropceanu, V. Molecular Understanding of Organic Solar Cells: The Challenges Acc. Chem. Res. 2009, 42, 1691-1699
    • (2009) Acc. Chem. Res. , vol.42 , pp. 1691-1699
    • Brédas, J.-L.1    Norton, J.E.2    Cornil, J.3    Coropceanu, V.4
  • 19
    • 10244229148 scopus 로고    scopus 로고
    • Charge-Transfer and Energy-Transfer Processes in π-Conjugated Oligomers and Polymers: A Molecular Picture
    • Brédas, J.-L.; Beljonne, D.; Coropceanu, V.; Cornil, J. Charge-Transfer and Energy-Transfer Processes in π-Conjugated Oligomers and Polymers: A Molecular Picture Chem. Rev. 2004, 104, 4971-5004
    • (2004) Chem. Rev. , vol.104 , pp. 4971-5004
    • Brédas, J.-L.1    Beljonne, D.2    Coropceanu, V.3    Cornil, J.4
  • 20
    • 79952127780 scopus 로고    scopus 로고
    • Evaluation of Charge Mobility in Organic Materials: From Localized to Delocalized Descriptions at a First-Principles Level
    • Shuai, Z.; Wang, L.; Li, Q. Evaluation of Charge Mobility in Organic Materials: From Localized to Delocalized Descriptions at a First-Principles Level Adv. Mater. 2011, 23, 1145-1153
    • (2011) Adv. Mater. , vol.23 , pp. 1145-1153
    • Shuai, Z.1    Wang, L.2    Li, Q.3
  • 21
    • 38349098245 scopus 로고    scopus 로고
    • Mechanism of Charge Transport in Self-Organizing Organic Materials
    • Grozema, F. C.; Siebbeles, L. D. A. Mechanism of Charge Transport in Self-Organizing Organic Materials Int. Rev. Phys. Chem. 2008, 27, 87-138
    • (2008) Int. Rev. Phys. Chem. , vol.27 , pp. 87-138
    • Grozema, F.C.1    Siebbeles, L.D.A.2
  • 22
    • 79954620318 scopus 로고    scopus 로고
    • Charge Transport in High Mobility Molecular Semiconductors: Classical Models and New Theories
    • Troisi, A. Charge Transport in High Mobility Molecular Semiconductors: Classical Models and New Theories Chem. Soc. Rev. 2011, 40, 2347-2358
    • (2011) Chem. Soc. Rev. , vol.40 , pp. 2347-2358
    • Troisi, A.1
  • 23
    • 79957836534 scopus 로고    scopus 로고
    • Does Supramolecular Ordering Influence Exciton Transport in Conjugated Systems? Insight from Atomistic Simulations
    • Papadopoulos, T. A.; Muccioli, L.; Athanasopoulos, S.; Walker, A. B.; Zannoni, C.; Beljonne, D. Does Supramolecular Ordering Influence Exciton Transport in Conjugated Systems? Insight From Atomistic Simulations Chem. Sci. 2011, 2, 1025-1032
    • (2011) Chem. Sci. , vol.2 , pp. 1025-1032
    • Papadopoulos, T.A.1    Muccioli, L.2    Athanasopoulos, S.3    Walker, A.B.4    Zannoni, C.5    Beljonne, D.6
  • 24
    • 78649734101 scopus 로고    scopus 로고
    • Extracting Nondispersive Charge Carrier Mobilities of Organic Semiconductors from Simulations of Small Systems
    • Lukyanov, A.; Andrienko, D. Extracting Nondispersive Charge Carrier Mobilities of Organic Semiconductors from Simulations of Small Systems Phys. Rev. B 2010, 82, 193202
    • (2010) Phys. Rev. B , vol.82 , pp. 193202
    • Lukyanov, A.1    Andrienko, D.2
  • 27
    • 0034511486 scopus 로고    scopus 로고
    • Rigorous Franck-Condon Absorption and Emission Spectra of Conjugated Oligomers from Quantum Chemistry
    • Karabunarliev, S.; Baumgarten, M.; Bittner, E. R.; Mullen, K. Rigorous Franck-Condon Absorption and Emission Spectra of Conjugated Oligomers from Quantum Chemistry J. Chem. Phys. 2000, 113, 11372-11381
    • (2000) J. Chem. Phys. , vol.113 , pp. 11372-11381
    • Karabunarliev, S.1    Baumgarten, M.2    Bittner, E.R.3    Mullen, K.4
  • 28
    • 79959457478 scopus 로고    scopus 로고
    • A Quantum-Chemical Perspective into Low Optical-Gap Polymers for Highly-Efficient Organic Solar Cells
    • Risko, C.; McGehee, M. D.; Bredas, J.-L. A Quantum-Chemical Perspective into Low Optical-Gap Polymers for Highly-Efficient Organic Solar Cells Chem. Sci. 2011, 2, 1200-1218
    • (2011) Chem. Sci. , vol.2 , pp. 1200-1218
    • Risko, C.1    McGehee, M.D.2    Bredas, J.-L.3
  • 29
    • 77953119272 scopus 로고    scopus 로고
    • 2D Excitons as Primary Energy Carriers in Organic Crystals: The Case of Oligoacenes
    • Emelianova, E. V.; Athanasopoulos, S.; Silbey, R. J.; Beljonne, D. 2D Excitons as Primary Energy Carriers in Organic Crystals: The Case of Oligoacenes Phys. Rev. Lett. 2010, 104, 206405
    • (2010) Phys. Rev. Lett. , vol.104 , pp. 206405
    • Emelianova, E.V.1    Athanasopoulos, S.2    Silbey, R.J.3    Beljonne, D.4
  • 31
    • 15444372256 scopus 로고    scopus 로고
    • Exciton Sizes of Conducting Polymers Predicted by Time-Dependent Density Functional Theory
    • Tretiak, S.; Igumenshchev, K.; Chernyak, V. Exciton Sizes of Conducting Polymers Predicted by Time-Dependent Density Functional Theory Phys. Rev. B 2005, 71, 033201
    • (2005) Phys. Rev. B , vol.71 , pp. 033201
    • Tretiak, S.1    Igumenshchev, K.2    Chernyak, V.3
  • 32
    • 34648823258 scopus 로고    scopus 로고
    • Excitonic Effects in a Time-Dependent Density Functional Theory
    • Igumenshchev, K. I.; Tretiak, S.; Chernyak, V. Y. Excitonic Effects in a Time-Dependent Density Functional Theory J. Chem. Phys. 2007, 127, 114902-114910
    • (2007) J. Chem. Phys. , vol.127 , pp. 114902-114910
    • Igumenshchev, K.I.1    Tretiak, S.2    Chernyak, V.Y.3
  • 33
    • 34548265505 scopus 로고    scopus 로고
    • Dependence of Spurious Charge-Transfer Excited States on Orbital Exchange in TDDFT: Large Molecules and Clusters
    • Magyar, R. J.; Tretiak, S. Dependence of Spurious Charge-Transfer Excited States on Orbital Exchange in TDDFT: Large Molecules and Clusters J. Chem. Theory Comput. 2007, 3, 976-987
    • (2007) J. Chem. Theory Comput. , vol.3 , pp. 976-987
    • Magyar, R.J.1    Tretiak, S.2
  • 34
    • 33749655606 scopus 로고    scopus 로고
    • Influence of Coulomb-Attenuation on Exchange-Correlation Functional Quality
    • Peach, M. J. G.; Cohen, A. J.; Tozer, D. J. Influence of Coulomb-Attenuation on Exchange-Correlation Functional Quality Phys. Chem. Chem. Phys. 2006, 8, 4543-4549
    • (2006) Phys. Chem. Chem. Phys. , vol.8 , pp. 4543-4549
    • Peach, M.J.G.1    Cohen, A.J.2    Tozer, D.J.3
  • 35
    • 38849133661 scopus 로고    scopus 로고
    • Excitation Energies in Density Functional Theory: An Evaluation and a Diagnostic Test
    • Peach, M. J. G.; Benfield, P.; Helgaker, T.; Tozer, D. J. Excitation Energies in Density Functional Theory: An Evaluation and a Diagnostic Test J. Chem. Phys. 2008, 128, 044118-044118
    • (2008) J. Chem. Phys. , vol.128 , pp. 044118-044118
    • Peach, M.J.G.1    Benfield, P.2    Helgaker, T.3    Tozer, D.J.4
  • 36
    • 0035310267 scopus 로고    scopus 로고
    • Franck-Condon Spectra and Electron-Libration Coupling in Para-polyphenyls
    • Karabunarliev, S.; Bittner, E. R.; Baumgarten, M. Franck-Condon Spectra and Electron-Libration Coupling in Para-polyphenyls J. Chem. Phys. 2001, 114, 5863-5870
    • (2001) J. Chem. Phys. , vol.114 , pp. 5863-5870
    • Karabunarliev, S.1    Bittner, E.R.2    Baumgarten, M.3
  • 37
    • 0037179302 scopus 로고    scopus 로고
    • Conformational Dynamics of Photoexcited Conjugated Molecules
    • Tretiak, S.; Saxena, A.; Martin, R. L.; Bishop, A. R. Conformational Dynamics of Photoexcited Conjugated Molecules Phys. Rev. Lett. 2002, 89, 097402
    • (2002) Phys. Rev. Lett. , vol.89 , pp. 097402
    • Tretiak, S.1    Saxena, A.2    Martin, R.L.3    Bishop, A.R.4
  • 39
    • 33645392241 scopus 로고    scopus 로고
    • Design Rules for Donors in Bulk-Heterojunction Solar Cells - Towards 10% Energy-Conversion Efficiency
    • Scharber, M. C.; Mühlbacher, D.; Koppe, M.; Denk, P.; Waldauf, C.; Heeger, A. J.; Brabec, C. J. Design Rules for Donors in Bulk-Heterojunction Solar Cells-Towards 10% Energy-Conversion Efficiency Adv. Mater. 2006, 18, 789-794
    • (2006) Adv. Mater. , vol.18 , pp. 789-794
    • Scharber, M.C.1    Mühlbacher, D.2    Koppe, M.3    Denk, P.4    Waldauf, C.5    Heeger, A.J.6    Brabec, C.J.7
  • 40
    • 77951907456 scopus 로고    scopus 로고
    • For the Bright Future - Bulk Heterojunction Polymer Solar Cells with Power Conversion Efficiency of 7.4%
    • Liang, Y.; Xu, Z.; Xia, J.; Tsai, S.-T.; Wu, Y.; Li, G.; Ray, C.; Yu, L. For the Bright Future-Bulk Heterojunction Polymer Solar Cells with Power Conversion Efficiency of 7.4% Adv. Mater. 2010, 22, E135-E138
    • (2010) Adv. Mater. , vol.22
    • Liang, Y.1    Xu, Z.2    Xia, J.3    Tsai, S.-T.4    Wu, Y.5    Li, G.6    Ray, C.7    Yu, L.8
  • 41
    • 79953656707 scopus 로고    scopus 로고
    • New Conjugated Polymers for Plastic Solar Cells
    • Gendron, D.; Leclerc, M. New Conjugated Polymers for Plastic Solar Cells Energy Environ. Sci. 2011, 4, 1225-1237
    • (2011) Energy Environ. Sci. , vol.4 , pp. 1225-1237
    • Gendron, D.1    Leclerc, M.2
  • 42
    • 72849153375 scopus 로고    scopus 로고
    • Molecular Bulk Heterojunctions: An Emerging Approach to Organic Solar Cells
    • Roncali, J. Molecular Bulk Heterojunctions: An Emerging Approach to Organic Solar Cells Acc. Chem. Res. 2009, 42, 1719-1730
    • (2009) Acc. Chem. Res. , vol.42 , pp. 1719-1730
    • Roncali, J.1
  • 43
    • 84857510123 scopus 로고    scopus 로고
    • Small Molecule Organic Semiconductors on the Move: Promises for Future Solar Energy Technology
    • Mishra, A.; Bäuerle, P. Small Molecule Organic Semiconductors on the Move: Promises for Future Solar Energy Technology Angew. Chem., Int. Ed. 2012, 51, 2020-2067
    • (2012) Angew. Chem., Int. Ed. , vol.51 , pp. 2020-2067
    • Mishra, A.1    Bäuerle, P.2
  • 44
    • 84859953805 scopus 로고    scopus 로고
    • Small Molecule Semiconductors for High-Efficiency Organic Photovoltaics
    • Lin, Y.; Li, Y.; Zhan, X. Small Molecule Semiconductors for High-Efficiency Organic Photovoltaics Chem. Soc. Rev. 2012, 41, 4245-4272
    • (2012) Chem. Soc. Rev. , vol.41 , pp. 4245-4272
    • Lin, Y.1    Li, Y.2    Zhan, X.3
  • 45
    • 79952162543 scopus 로고    scopus 로고
    • Small Molecule Solution-Processed Bulk Heterojunction Solar Cells
    • Walker, B.; Kim, C.; Nguyen, T.-Q. Small Molecule Solution-Processed Bulk Heterojunction Solar Cells Chem. Mater. 2011, 23, 470-482
    • (2011) Chem. Mater. , vol.23 , pp. 470-482
    • Walker, B.1    Kim, C.2    Nguyen, T.-Q.3
  • 48
  • 49
    • 70450206724 scopus 로고    scopus 로고
    • revision A.1; Gaussian, Inc. Wallingford, CT
    • Frisch, M. J.; Gaussian 09, revision A.1; Gaussian, Inc.: Wallingford, CT, 2009.
    • (2009) Gaussian 09
    • Frisch, M.J.1
  • 50
    • 3142771297 scopus 로고    scopus 로고
    • A New Hybrid Exchange-Correlation Functional Using the Coulomb-Attenuating Method (CAM-B3LYP)
    • Yanai, T.; Tew, D. P.; Handy, N. C. A New Hybrid Exchange-Correlation Functional Using the Coulomb-Attenuating Method (CAM-B3LYP) Chem. Phys. Lett. 2004, 393, 51-57
    • (2004) Chem. Phys. Lett. , vol.393 , pp. 51-57
    • Yanai, T.1    Tew, D.P.2    Handy, N.C.3
  • 51
    • 33645949559 scopus 로고
    • Self-Consistent Molecular Orbital Methods. XXIII. A Polarization-Type Basis Set for Second-Row Elements
    • Francl, M. M.; Pietro, W. J.; Hehre, W. J.; Binkley, J. S.; Gordon, M. S.; DeFrees, D. J.; Pople, J. A. Self-Consistent Molecular Orbital Methods. XXIII. A Polarization-Type Basis Set for Second-Row Elements J. Chem. Phys. 1982, 77, 3654-3665
    • (1982) J. Chem. Phys. , vol.77 , pp. 3654-3665
    • Francl, M.M.1    Pietro, W.J.2    Hehre, W.J.3    Binkley, J.S.4    Gordon, M.S.5    Defrees, D.J.6    Pople, J.A.7
  • 52
    • 84962361532 scopus 로고    scopus 로고
    • Benchmarking the Conductor-like Polarizable Continuum Model (CPCM) for Aqueous Solvation Free Energies of Neutral and Ionic Organic Molecules
    • Takano, Y.; Houk, K. N. Benchmarking the Conductor-like Polarizable Continuum Model (CPCM) for Aqueous Solvation Free Energies of Neutral and Ionic Organic Molecules J. Chem. Theory Comput. 2004, 1, 70-77
    • (2004) J. Chem. Theory Comput. , vol.1 , pp. 70-77
    • Takano, Y.1    Houk, K.N.2
  • 53
    • 84962349001 scopus 로고    scopus 로고
    • Energies, Structures, and Electronic Properties of Molecules in Solution with the C-PCM Solvation Model
    • Cossi, M.; Rega, N.; Scalmani, G.; Barone, V. Energies, Structures, and Electronic Properties of Molecules in Solution with the C-PCM Solvation Model J. Comput. Chem. 2003, 24, 669-681
    • (2003) J. Comput. Chem. , vol.24 , pp. 669-681
    • Cossi, M.1    Rega, N.2    Scalmani, G.3    Barone, V.4
  • 54
    • 84961985847 scopus 로고    scopus 로고
    • Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model
    • Barone, V.; Cossi, M. Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model J. Phys. Chem. A 1998, 102, 1995-2001
    • (1998) J. Phys. Chem. A , vol.102 , pp. 1995-2001
    • Barone, V.1    Cossi, M.2
  • 56
    • 0034299431 scopus 로고    scopus 로고
    • Bacteriochlorophyll and Carotenoid Excitonic Couplings in the LH2 System of Purple Bacteria
    • Tretiak, S.; Middleton, C.; Chernyak, V.; Mukamel, S. Bacteriochlorophyll and Carotenoid Excitonic Couplings in the LH2 System of Purple Bacteria J. Phys. Chem. B 2000, 104, 9540-9553
    • (2000) J. Phys. Chem. B , vol.104 , pp. 9540-9553
    • Tretiak, S.1    Middleton, C.2    Chernyak, V.3    Mukamel, S.4
  • 57
    • 0000065175 scopus 로고    scopus 로고
    • Exciton Hamiltonian for the Bacteriochlorophyll System in the LH2 Antenna Complex of Purple Bacteria
    • Tretiak, S.; Middleton, C.; Chernyak, V.; Mukamel, S. Exciton Hamiltonian for the Bacteriochlorophyll System in the LH2 Antenna Complex of Purple Bacteria J. Phys. Chem. B 2000, 104, 4519-4528
    • (2000) J. Phys. Chem. B , vol.104 , pp. 4519-4528
    • Tretiak, S.1    Middleton, C.2    Chernyak, V.3    Mukamel, S.4
  • 58
    • 13044305847 scopus 로고    scopus 로고
    • Excitonic Couplings and Electronic Coherence in Bridged Naphthalene Dimers
    • Tretiak, S.; Zhang, W. M.; Chernyak, V.; Mukamel, S. Excitonic Couplings and Electronic Coherence in Bridged Naphthalene Dimers Proc. Natl. Acad. Sci. U.S.A. 1999, 96, 13003-13008
    • (1999) Proc. Natl. Acad. Sci. U.S.A. , vol.96 , pp. 13003-13008
    • Tretiak, S.1    Zhang, W.M.2    Chernyak, V.3    Mukamel, S.4
  • 59
    • 0028961326 scopus 로고
    • Fluorescence Study of the Three Tryptophan Residues of the Pore-Forming Domain of Colicin A Using Multifrequency Phase Fluorometry
    • Vos, R.; Engelborghs, Y.; Izard, J.; Baty, D. Fluorescence Study of the Three Tryptophan Residues of the Pore-Forming Domain of Colicin A Using Multifrequency Phase Fluorometry Biochemistry 1995, 34, 1734-1743
    • (1995) Biochemistry , vol.34 , pp. 1734-1743
    • Vos, R.1    Engelborghs, Y.2    Izard, J.3    Baty, D.4
  • 60
    • 54749149850 scopus 로고    scopus 로고
    • Exciton Diffusion and Energy Transfer in Organic Solar Cells Based on Dicyanovinyl-Terthiophene
    • Holzhey, A.; Uhrich, C.; Brier, E.; Reinhold, E.; Bauerle, P.; Leo, K.; Hoffmann, M. Exciton Diffusion and Energy Transfer in Organic Solar Cells Based on Dicyanovinyl-Terthiophene J. Appl. Phys. 2008, 104, 064510
    • (2008) J. Appl. Phys. , vol.104 , pp. 064510
    • Holzhey, A.1    Uhrich, C.2    Brier, E.3    Reinhold, E.4    Bauerle, P.5    Leo, K.6    Hoffmann, M.7
  • 61
    • 0345060761 scopus 로고
    • Quantum Chemical Probes of Electron-Transfer Kinetics: The Nature of Donor-Acceptor Interactions
    • Newton, M. D. Quantum Chemical Probes of Electron-Transfer Kinetics: the Nature of Donor-Acceptor Interactions Chem. Rev. 1991, 91, 767-792
    • (1991) Chem. Rev. , vol.91 , pp. 767-792
    • Newton, M.D.1
  • 62
    • 77950228960 scopus 로고    scopus 로고
    • Relationship between Crystalline Order and Exciton Diffusion Length in Molecular Organic Semiconductors
    • Lunt, R. R.; Benziger, J. B.; Forrest, S. R. Relationship between Crystalline Order and Exciton Diffusion Length in Molecular Organic Semiconductors Adv. Mater. 2010, 22, 1233-1236
    • (2010) Adv. Mater. , vol.22 , pp. 1233-1236
    • Lunt, R.R.1    Benziger, J.B.2    Forrest, S.R.3
  • 65
    • 0001055686 scopus 로고
    • Direct Observation of the Intersystem Crossing in Poly(3-octylthiophene)
    • Kraabel, B.; Moses, D.; Heeger, A. J. Direct Observation of the Intersystem Crossing in Poly(3-octylthiophene) J. Chem. Phys. 1995, 103, 5102-5108
    • (1995) J. Chem. Phys. , vol.103 , pp. 5102-5108
    • Kraabel, B.1    Moses, D.2    Heeger, A.J.3
  • 67
    • 0037444696 scopus 로고    scopus 로고
    • Natural Transition Orbitals
    • Martin, R. L. Natural Transition Orbitals J. Chem. Phys. 2003, 118, 4775-4777
    • (2003) J. Chem. Phys. , vol.118 , pp. 4775-4777
    • Martin, R.L.1
  • 68
    • 4644335033 scopus 로고    scopus 로고
    • Electron-Vibrational Dynamics of Photoexcited Polyfluorenes
    • Franco, I.; Tretiak, S. Electron-Vibrational Dynamics of Photoexcited Polyfluorenes J. Am. Chem. Soc. 2004, 126, 12130-12140
    • (2004) J. Am. Chem. Soc. , vol.126 , pp. 12130-12140
    • Franco, I.1    Tretiak, S.2
  • 70
    • 77949520834 scopus 로고    scopus 로고
    • The Spectral Signatures of Frenkel Polarons in H- and J-Aggregates
    • Spano, F. C. The Spectral Signatures of Frenkel Polarons in H- and J-Aggregates Acc. Chem. Res. 2010, 43, 429-439
    • (2010) Acc. Chem. Res. , vol.43 , pp. 429-439
    • Spano, F.C.1
  • 71
    • 67650094907 scopus 로고    scopus 로고
    • Beyond Förster Resonance Energy Transfer in Biological and Nanoscale Systems
    • Beljonne, D.; Curutchet, C.; Scholes, G. D.; Silbey, R. J. Beyond Förster Resonance Energy Transfer in Biological and Nanoscale Systems J. Phys. Chem. B 2009, 113, 6583-6599
    • (2009) J. Phys. Chem. B , vol.113 , pp. 6583-6599
    • Beljonne, D.1    Curutchet, C.2    Scholes, G.D.3    Silbey, R.J.4
  • 72
    • 79958200894 scopus 로고    scopus 로고
    • Nonadiabatic Excited-State Molecular Dynamics Modeling of Photoinduced Dynamics in Conjugated Molecules
    • Nelson, T.; Fernandez-Alberti, S.; Chernyak, V.; Roitberg, A. E.; Tretiak, S. Nonadiabatic Excited-State Molecular Dynamics Modeling of Photoinduced Dynamics in Conjugated Molecules J. Phys. Chem. B 2011, 115, 5402-5414
    • (2011) J. Phys. Chem. B , vol.115 , pp. 5402-5414
    • Nelson, T.1    Fernandez-Alberti, S.2    Chernyak, V.3    Roitberg, A.E.4    Tretiak, S.5
  • 75
    • 33748112776 scopus 로고    scopus 로고
    • Comparison of the Electronic Structure of PPV and Its Derivative DIOXA-PPV
    • Sun, M.; Kjellberg, P.; Beenken, W. J. D.; Pullerits, T. Comparison of the Electronic Structure of PPV and Its Derivative DIOXA-PPV Chem. Phys. 2006, 327, 474-484
    • (2006) Chem. Phys. , vol.327 , pp. 474-484
    • Sun, M.1    Kjellberg, P.2    Beenken, W.J.D.3    Pullerits, T.4
  • 76
    • 79958859853 scopus 로고    scopus 로고
    • Electrochemical Considerations for Determining Absolute Frontier Orbital Energy Levels of Conjugated Polymers for Solar Cell Applications
    • Cardona, C. M.; Li, W.; Kaifer, A. E.; Stockdale, D.; Bazan, G. C. Electrochemical Considerations for Determining Absolute Frontier Orbital Energy Levels of Conjugated Polymers for Solar Cell Applications Adv. Mater. 2011, 23, 2367-2371
    • (2011) Adv. Mater. , vol.23 , pp. 2367-2371
    • Cardona, C.M.1    Li, W.2    Kaifer, A.E.3    Stockdale, D.4    Bazan, G.C.5
  • 77
    • 62649113857 scopus 로고    scopus 로고
    • Measurement of the Lowest Unoccupied Molecular Orbital Energies of Molecular Organic Semiconductors
    • Djurovich, P. I.; Mayo, E. I.; Forrest, S. R.; Thompson, M. E. Measurement of the Lowest Unoccupied Molecular Orbital Energies of Molecular Organic Semiconductors Org. Electron. 2009, 10, 515-520
    • (2009) Org. Electron. , vol.10 , pp. 515-520
    • Djurovich, P.I.1    Mayo, E.I.2    Forrest, S.R.3    Thompson, M.E.4
  • 78
    • 84862103907 scopus 로고    scopus 로고
    • Influence of Processing Additives on Charge-Transfer Time Scales and Sound Velocity in Organic Bulk Heterojunction Films
    • Kaake, L. G.; Welch, G. C.; Moses, D.; Bazan, G. C.; Heeger, A. J. Influence of Processing Additives on Charge-Transfer Time Scales and Sound Velocity in Organic Bulk Heterojunction Films J. Phys. Chem. Lett. 2012, 3, 1253-1257
    • (2012) J. Phys. Chem. Lett. , vol.3 , pp. 1253-1257
    • Kaake, L.G.1    Welch, G.C.2    Moses, D.3    Bazan, G.C.4    Heeger, A.J.5
  • 79
    • 37349067801 scopus 로고    scopus 로고
    • Effect of Intramolecular Disorder and Intermolecular Electronic Interactions on the Electronic Structure of Poly- p -phenylene Vinylene
    • Yang, P.; Batista, E. R.; Tretiak, S.; Saxena, A.; Martin, R. L.; Smith, D. L. Effect of Intramolecular Disorder and Intermolecular Electronic Interactions on the Electronic Structure of Poly- p -phenylene Vinylene Phys. Rev. B 2007, 76, 241201
    • (2007) Phys. Rev. B , vol.76 , pp. 241201
    • Yang, P.1    Batista, E.R.2    Tretiak, S.3    Saxena, A.4    Martin, R.L.5    Smith, D.L.6


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.