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Volumn 114, Issue 45, 2010, Pages 19521-19528

Importance of dynamics in electron excitation and transfer of organic dyes

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; DYNAMIC EFFECTS; ELECTRON EXCITATIONS; ELECTRON TRANSFER PROCESS; ENHANCED ABSORPTION; EXCITATION WAVELENGTH; LARGE SYSTEM; ORGANIC DYE; OXADIAZOLES; RED SHIFT; SOLVENT EFFECTS; TIME-DEPENDENT DFT; TRIPHENYLAMINE DERIVATIVES;

EID: 78650412870     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp107032d     Document Type: Article
Times cited : (25)

References (32)
  • 2
    • 0035891138 scopus 로고    scopus 로고
    • Photoelectrochemical cells
    • Gratzel, M. Photoelectrochemical cells. Nature 2001, 414, 338-344.
    • (2001) Nature , vol.414 , pp. 338-344
    • Gratzel, M.1
  • 3
    • 34047155561 scopus 로고    scopus 로고
    • Photovoltaic and photoelectrochemical conversion of solar energy
    • Gratzel, M. Photovoltaic and Photoelectrochemical Conversion of Solar Energy. Philos. Trans. R. Soc., A 2007, 365, 993-1005.
    • (2007) Philos. Trans. R. Soc., A , vol.365 , pp. 993-1005
    • Gratzel, M.1
  • 4
    • 70349784869 scopus 로고    scopus 로고
    • Metal-free organic dyes for dye-sensitized solar cells: From structure: Property relationships to design rules
    • Mishra, A.; Fischer, M. K. R.; Bauerle, P. Metal-Free Organic Dyes for Dye-Sensitized Solar Cells: From Structure:Property Relationships to Design Rules. Angew. Chem., Int. Ed. 2009, 48, 2474-2499.
    • (2009) Angew. Chem., Int. Ed. , vol.48 , pp. 2474-2499
    • Mishra, A.1    Fischer, M.K.R.2    Bauerle, P.3
  • 5
    • 64549140360 scopus 로고    scopus 로고
    • High efficiency and stable dye-sensitized solar cells with an organic chromophore featuring a binary π-conjugated spacer
    • Zhang, G.; Bala, H.; Cheng, Y.; Shi, D.; Lv, X.; Yu, Q.; Wang, P. High Efficiency and Stable Dye-Sensitized Solar Cells with an Organic Chromophore Featuring a Binary Π-Conjugated Spacer. Chem. Commun. (Cambridge, U. K.) 2009, 2198-2200.
    • (2009) Chem. Commun. (Cambridge, U. K.) , pp. 2198-2200
    • Zhang, G.1    Bala, H.2    Cheng, Y.3    Shi, D.4    Lv, X.5    Yu, Q.6    Wang, P.7
  • 7
    • 70449529762 scopus 로고    scopus 로고
    • Photoinduced energy and electron transfer in porphyrin-anthraquinone dyad bridged with a triazine group
    • Tao, M.; Liu, L.; Liu, D.; Zhou, X. Photoinduced Energy and Electron Transfer in Porphyrin-Anthraquinone Dyad Bridged with a Triazine Group. Dyes Pigm. 2010, 85, 21-26.
    • (2010) Dyes Pigm , vol.85 , pp. 21-26
    • Tao, M.1    Liu, L.2    Liu, D.3    Zhou, X.4
  • 8
    • 38849172435 scopus 로고    scopus 로고
    • New triphenylamine-based dyes for dye-sensitized solar cells
    • Xu, W.; Peng, B.; Chen, J.; Liang, M.; Cai, F. New Triphenylamine-Based Dyes for Dye-Sensitized Solar Cells. J. Phys. Chem. C 2008, 112, 874-880.
    • (2008) J. Phys. Chem. C , vol.112 , pp. 874-880
    • Xu, W.1    Peng, B.2    Chen, J.3    Liang, M.4    Cai, F.5
  • 9
    • 70349866147 scopus 로고    scopus 로고
    • Enhanced efficiency of organic dye-sensitized solar cells: Triphenylamine derivatives
    • Preat, J.; Michaux, C.; Jacquemin, D.; Perpete, E. A. Enhanced Efficiency of Organic Dye-Sensitized Solar Cells: Triphenylamine Derivatives. J. Phys. Chem. C 2009, 113, 16821-16833.
    • (2009) J. Phys. Chem. C , vol.113 , pp. 16821-16833
    • Preat, J.1    Michaux, C.2    Jacquemin, D.3    Perpete, E.A.4
  • 11
    • 33748354491 scopus 로고    scopus 로고
    • Computational organic photochemistry: Strategy, achievements and perspectives
    • Garavelli, M. Computational Organic Photochemistry: Strategy, Achievements and Perspectives. Theor. Chem. Acc. 2006, 116, 87-105.
    • (2006) Theor. Chem. Acc. , vol.116 , pp. 87-105
    • Garavelli, M.1
  • 12
    • 77951130519 scopus 로고    scopus 로고
    • A computational investigation of organic dyes for dye-sensitized solar cells: Benchmark, strategies, and open issues
    • Pastore, M.; Mosconi, E.; De Angelis, F.; Gratzel, M. A Computational Investigation of Organic Dyes for Dye-Sensitized Solar Cells: Benchmark, Strategies, and Open Issues. J. Phys. Chem. C 2010, 114, 7205-7212.
    • (2010) J. Phys. Chem. C , vol.114 , pp. 7205-7212
    • Pastore, M.1    Mosconi, E.2    De Angelis, F.3    Gratzel, M.4
  • 13
  • 14
    • 67749140050 scopus 로고    scopus 로고
    • Molecular design of organic dyes with double electron acceptor for dye-sensitized solar cell
    • Park, S. S.; Won, Y. S.; Choi, Y. C.; Kim, J. H. Molecular Design of Organic Dyes with Double Electron Acceptor for Dye-Sensitized Solar Cell. Energy Fuels 2009, 23, 3732-3736.
    • (2009) Energy Fuels , vol.23 , pp. 3732-3736
    • Park, S.S.1    Won, Y.S.2    Choi, Y.C.3    Kim, J.H.4
  • 15
    • 69249205593 scopus 로고    scopus 로고
    • DFT and TD-DFT study on strcuture and properties of organic dye sensitizer TA-St-CA
    • Zhang, C. R.; Liu, Z. J.; Chen, Y. H.; Chen, H. S.; Wu, Y. Z.; Feng, W.; Wang, D. B. DFT and TD-DFT Study on Strcuture and Properties of Organic Dye Sensitizer TA-St-CA. Curr. Appl. Phys. 2010, 10, 77-83.
    • (2010) Curr. Appl. Phys. , vol.10 , pp. 77-83
    • Zhang, C.R.1    Liu, Z.J.2    Chen, Y.H.3    Chen, H.S.4    Wu, Y.Z.5    Feng, W.6    Wang, D.B.7
  • 16
    • 24344463044 scopus 로고    scopus 로고
    • Role of donor-acceptor strengths and separation on the two-photon absorption response of cytotoxic dyes: A TD-DFT study
    • Badaeva, E. A.; Timofeeva, T. V. Role of Donor-Acceptor Strengths and Separation on the Two-Photon Absorption Response of Cytotoxic Dyes: A TD-DFT Study. J. Phys. Chem. A 2005, 109, 7276-7284.
    • (2005) J. Phys. Chem. A , vol.109 , pp. 7276-7284
    • Badaeva, E.A.1    Timofeeva, T.V.2
  • 17
    • 77953664450 scopus 로고    scopus 로고
    • Computational chemistry meets cultural heritage: Challenges and perspectives
    • Fantacci, S.; Amat, A.; Sgamellotti, A. Computational Chemistry Meets Cultural Heritage: Challenges and Perspectives. Acc. Chem. Res. 2010, 43, 802-813.
    • (2010) Acc. Chem. Res. , vol.43 , pp. 802-813
    • Fantacci, S.1    Amat, A.2    Sgamellotti, A.3
  • 18
    • 46049088279 scopus 로고    scopus 로고
    • Performance of B3LYP density functional methods for a large set of organic molecules
    • Tirado-Rives, J.; Jorgensen, W. L. Performance of B3LYP Density Functional Methods for a Large Set of Organic Molecules. J. Chem. Theory Comput. 2008, 4, 297-306.
    • (2008) J. Chem. Theory Comput. , vol.4 , pp. 297-306
    • Tirado-Rives, J.1    Jorgensen, W.L.2
  • 19
    • 66749164170 scopus 로고    scopus 로고
    • Time-dependent density-functional theory
    • Marques, M. A. L.; Rubio, A. Time-Dependent Density-Functional Theory. Phys. Chem. Chem. Phys. 2009, 11 (22), 4421-4688.
    • (2009) Phys. Chem. Chem. Phys. , vol.11 , Issue.22 , pp. 4421-4688
    • Marques, M.A.L.1    Rubio, A.2
  • 20
    • 70449531338 scopus 로고    scopus 로고
    • Photoinduced energy and electron transfer in porphyrin-oxadiazole dyads
    • Tao, M.; Liu, D.; Zhang, M.; Zhou, X. Photoinduced Energy and Electron Transfer in Porphyrin-Oxadiazole Dyads. Acta Chim. Sin. 2008, 66, 1252-1258.
    • (2008) Acta Chim. Sin. , vol.66 , pp. 1252-1258
    • Tao, M.1    Liu, D.2    Zhang, M.3    Zhou, X.4
  • 22
    • 4243553426 scopus 로고
    • Density-functional exchange-energy approximation with correct asymptotic behavior
    • Becke, A. D. Density-Functional Exchange-Energy Approximation with Correct Asymptotic Behavior. Phys. Rev. A 1988, 38, 3098-3100.
    • (1988) Phys. Rev. A , vol.38 , pp. 3098-3100
    • Becke, A.D.1
  • 23
    • 0000189651 scopus 로고
    • Density-functional thermochemistry. 3
    • Becke, A. D. Density-Functional Thermochemistry. 3. The Role of Exact Exchange. 1993, 98, 5648-5652.
    • (1993) The Role of Exact Exchange , vol.98 , pp. 5648-5652
    • Becke, A.D.1
  • 24
    • 0345491105 scopus 로고
    • Development of the colle-salvetti correlation-energy formula into a functional of the electron density
    • Lee, C.; Yang, W.; Parr, R. G. Development of the Colle-Salvetti Correlation-Energy Formula into a Functional of the Electron Density. Phys. Rev. B 1988, 37, 785-789.
    • (1988) Phys. Rev. B. , vol.37 , pp. 785-789
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 25
    • 0031209054 scopus 로고    scopus 로고
    • A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics
    • Cancès, E.; Mennucci, B.; Tomasi, J. A New Integral Equation Formalism for the Polarizable Continuum Model: Theoretical Background and Applications to Isotropic and Anisotropic Dielectrics. J. Chem. Phys. 1997, 107, 3032-3041.
    • (1997) J. Chem. Phys. , vol.107 , pp. 3032-3041
    • Cancès, E.1    Mennucci, B.2    Tomasi, J.3
  • 26
    • 40549115627 scopus 로고    scopus 로고
    • A library for package-independent computational chemistry algorithms
    • O'Boyle, N. M.; Tenderholt, A. L.; Langner, K. M. A Library for Package-Independent Computational Chemistry Algorithms. J. Comput. Chem. 2008, 29, 839-845.
    • (2008) J. Comput. Chem. , vol.29 , pp. 839-845
    • O'Boyle, N.M.1    Tenderholt, A.L.2    Langner, K.M.3
  • 27
    • 77952377611 scopus 로고    scopus 로고
    • Molecular design of anthracene-bridged metal-free organic dyes for efficient dye-sensitized solar cells
    • Teng, C.; Yang, X.; Yang, C.; Li, S.; Cheng, M.; Hagfeldt, A.; Sun, L. Molecular Design of Anthracene-Bridged Metal-Free Organic Dyes for Efficient Dye-Sensitized Solar Cells. J. Phys. Chem. C 2010, 114, 9101-9110.
    • (2010) J. Phys. Chem. C , vol.114 , pp. 9101-9110
    • Teng, C.1    Yang, X.2    Yang, C.3    Li, S.4    Cheng, M.5    Hagfeldt, A.6    Sun, L.7
  • 28
    • 0034253705 scopus 로고    scopus 로고
    • Calculation of the absorption wavelength of dyes using time-dependent density-functional theory (TD-DFT)
    • Guillaumont, D.; Nakamura, S. Calculation of the Absorption Wavelength of Dyes Using Time-Dependent Density-Functional Theory (TD-DFT). Dyes Pigm. 2000, 46, 85-92.
    • (2000) Dyes Pigm , vol.46 , pp. 85-92
    • Guillaumont, D.1    Nakamura, S.2
  • 30
    • 0001216602 scopus 로고
    • Zur quantitativen Beschreibung des Einflusses von Substituenten auf das Absorptionsspektrum ebener Molekeln. Anwendung auf
    • Labhart, H. Zur quantitativen Beschreibung des Einflusses von Substituenten auf das Absorptionsspektrum ebener Molekeln. Anwendung auf. Helv. Chim. Acta 1957, 40, 1410-1420.
    • (1957) Helv. Chim. Acta , vol.40 , pp. 1410-1420
    • Labhart, H.1
  • 31
    • 0012402853 scopus 로고
    • Interpretation of the 9, 10-antraquinone chromophore by configuration analysis
    • Fabian, J.; Nepras, M. Interpretation of the 9, 10-Antraquinone Chromophore by Configuration Analysis. Collect. Czech. Chem. Commun. 1980, 45, 2605-2620.
    • (1980) Collect. Czech. Chem. Commun. , vol.45 , pp. 2605-2620
    • Fabian, J.1    Nepras, M.2
  • 32
    • 38749112146 scopus 로고    scopus 로고
    • TD-DFT performance for the visible absorption spectra of organic dyes: Conventional versus long-range hybrids
    • Jacquemin, D.; Perpte, E. A.; Scuseria, G. E.; Ciofini, I.; Adamo, C. TD-DFT Performance for the Visible Absorption Spectra of Organic Dyes: Conventional versus Long-Range Hybrids. J. Chem. Theory Comput. 2008, 4, 123-135.
    • (2008) J. Chem. Theory Comput. , vol.4 , pp. 123-135
    • Jacquemin, D.1    Perpte, E.A.2    Scuseria, G.E.3    Ciofini, I.4    Adamo, C.5


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