메뉴 건너뛰기




Volumn 8438, Issue , 2012, Pages

Effect of nuclear vibrations, temperature, and orientation on injection and recombination conditions in amino-phenyl acid dyes on TiO 2

Author keywords

Dye sensitized solar cells; Electonic structure; Molecular dynamics; Organic dye

Indexed keywords

ACID DYE; ADSORPTION GEOMETRIES; CONDUCTION-BAND MINIMUM; DONOR GROUPS; DRIVING FORCES; DYE-SENSITIZED SOLAR CELL; INJECTION RATES; MOLECULAR DYNAMICS SIMULATIONS; NON EQUILIBRIUM; NUCLEAR MOTIONS; NUCLEAR VIBRATIONS; ORGANIC DYE; OXIDE SURFACE; TEMPERATURE INCREASE; TEMPORAL EVOLUTION; TIO; TITANIA;

EID: 84861929355     PISSN: 0277786X     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1117/12.921133     Document Type: Conference Paper
Times cited : (6)

References (40)
  • 2
    • 79961091769 scopus 로고    scopus 로고
    • Electron transfer dynamics in dye-sensitized solar cells
    • Listorti, A., O'Regan, B., and Durrant, J., "Electron transfer dynamics in dye-sensitized solar cells", Chem. Mater. 23(15), 3381-3399 (2011).
    • (2011) Chem. Mater. , vol.23 , Issue.15 , pp. 3381-3399
    • Listorti, A.1    O'Regan, B.2    Durrant, J.3
  • 3
    • 70350001854 scopus 로고    scopus 로고
    • Electron lifetime in dye-sensitized solar cells: Theory and interpretation on measurements
    • Bisquert, J., Fabregat-Santiago, F., Mora-Sero, I., Garcia-Belmonte, G., and Gimenez, S., "Electron lifetime in dye-sensitized solar cells: theory and interpretation on measurements", J. Phys. Chem. C 113(40), 17278-17290 (2009).
    • (2009) J. Phys. Chem. C , vol.113 , Issue.40 , pp. 17278-17290
    • Bisquert, J.1    Fabregat-Santiago, F.2    Mora-Sero, I.3    Garcia-Belmonte, G.4    Gimenez, S.5
  • 4
    • 59549096637 scopus 로고    scopus 로고
    • Photoinduced electron dynamics at the chromophore-semiconductor interface: A time-domain ab initio perspective
    • Prezhdo, O. V., Duncan, W. R., and Prezhdo, V. V., "Photoinduced electron dynamics at the chromophore-semiconductor interface: a time-domain ab initio perspective", Progr. Surf. Sci. 84(1-2), 30-68 (2009).
    • (2009) Progr. Surf. Sci. , vol.84 , Issue.1-2 , pp. 30-68
    • Prezhdo, O.V.1    Duncan, W.R.2    Prezhdo, V.V.3
  • 6
    • 84857234268 scopus 로고    scopus 로고
    • Computational dye design by changing the conjugation order: Failure of LR-TDDFT to predict relative excitation energies in organic dyes differing by the position of the methine unit
    • Manzhos, S., Segawa, H., and Yamashita, K., "Computational dye design by changing the conjugation order: failure of LR-TDDFT to predict relative excitation energies in organic dyes differing by the position of the methine unit", Chem. Phys. Lett. 527, 51-56 (2012).
    • (2012) Chem. Phys. Lett. , vol.527 , pp. 51-56
    • Manzhos, S.1    Segawa, H.2    Yamashita, K.3
  • 7
    • 79953199448 scopus 로고    scopus 로고
    • Insights into working principles of ruthenium polypyridyl dye-sensitized solar cells from first principles modeling
    • Labat, F., Ciofini, I., Hratchian, H. P., Frisch, M., Raghavachari, K., and Adamo, C, "Insights into working principles of ruthenium polypyridyl dye-sensitized solar cells from first principles modeling", J. Phys. Chem. C 115(10), 4297-4306 (2011).
    • (2011) J. Phys. Chem. C , vol.115 , Issue.10 , pp. 4297-4306
    • Labat, F.1    Ciofini, I.2    Hratchian, H.P.3    Frisch, M.4    Raghavachari, K.5    Adamo, C.6
  • 8
    • 79955883316 scopus 로고    scopus 로고
    • Design of dye acceptors for photovoltaics from first-principles calculations
    • Meng, S., Kaxiras, E., Nazeeruddin, Md. K., and Graetzel, M., "Design of dye acceptors for photovoltaics from first-principles calculations" J. Phys. Chem. C 115(18), 9276-9282 (2011).
    • (2011) J. Phys. Chem. C , vol.115 , Issue.18 , pp. 9276-9282
    • Meng, S.1    Kaxiras, E.2    Nazeeruddin Md., K.3    Graetzel, M.4
  • 10
    • 80055000221 scopus 로고    scopus 로고
    • High-throughput computational screening of chromophores for dye-sensitized solar cells
    • Marstinovich, N. and Troisi, A., "High-throughput computational screening of chromophores for dye-sensitized solar cells", J. Phys. Chem. C 115(23), 11781-11792 (2011).
    • (2011) J. Phys. Chem. C , vol.115 , Issue.23 , pp. 11781-11792
    • Marstinovich, N.1    Troisi, A.2
  • 12
    • 79952083014 scopus 로고    scopus 로고
    • Electron dynamics in dye-sensitized solar cells: Effects of surface terminations and defects
    • Li, Z., Zhang, X., and Lu, G., "Electron dynamics in dye-sensitized solar cells: effects of surface terminations and defects", J. Phys. Chem. B 114(51), 17077-17083 (2010).
    • (2010) J. Phys. Chem. B , vol.114 , Issue.51 , pp. 17077-17083
    • Li, Z.1    Zhang, X.2    Lu, G.3
  • 15
    • 75749096018 scopus 로고    scopus 로고
    • 2 in dye-sensitized solar cells models: An ab initio investigation
    • 2 in dye-sensitized solar cells models: an ab initio investigation", ACS Nano 4(1), 556-562 (2010).
    • (2010) ACS Nano , vol.4 , Issue.1 , pp. 556-562
    • Pastore, M.1    De Angelis, F.2
  • 17
    • 79953780217 scopus 로고    scopus 로고
    • 2 heterointerfaces in explicit solvent: Absorption spectra, energy levels, and dye desorption
    • 2 heterointerfaces in explicit solvent: absorption spectra, energy levels, and dye desorption", J. Phys. Chem. Lett. 2(7), 813-817 (2011).
    • (2011) J. Phys. Chem. Lett. , vol.2 , Issue.7 , pp. 813-817
    • De Angelis, F.1    Fantacci, S.2    Gebauer, R.3
  • 20
    • 68549115425 scopus 로고    scopus 로고
    • Electron transfer from organic aminophenyl acid sensitizers to titanium dioxide nanoparticle films
    • Myllyperkio, P., Manzoni, C, Polli, D., Cerullo, G., and Korppi-Tommola, J., "Electron transfer from organic aminophenyl acid sensitizers to titanium dioxide nanoparticle films", J. Phys. Chem. C 113(31), 13985-13992 (2009).
    • (2009) J. Phys. Chem. C , vol.113 , Issue.31 , pp. 13985-13992
    • Myllyperkio, P.1    Manzoni, C.2    Polli, D.3    Cerullo, G.4    Korppi-Tommola, J.5
  • 21
    • 78751534484 scopus 로고    scopus 로고
    • Regarding the validity of the time-dependent Kohn-Sham approach for electron-nuclear dynamics via trajectory surface hopping
    • Fischer, S. A., Habenicht, B. F., Madrid, A. B., Duncan, W. R., and Prezhdno, O. V., "Regarding the validity of the time-dependent Kohn-Sham approach for electron-nuclear dynamics via trajectory surface hopping", J. Chem. Phys. 134(2), 024102 (2011).
    • (2011) J. Chem. Phys. , vol.134 , Issue.2 , pp. 024102
    • Fischer, S.A.1    Habenicht, B.F.2    Madrid, A.B.3    Duncan, W.R.4    Prezhdno, O.V.5
  • 23
    • 80052200659 scopus 로고    scopus 로고
    • Climate change impacts on future photovoltaic and concentrated solar power energy output
    • Crook, J. A., Jones, L. A., Forster, P. M., and Crook, R., "Climate change impacts on future photovoltaic and concentrated solar power energy output", Energy Environ. Sci. 4(9), 3101-3109 (2011).
    • (2011) Energy Environ. Sci. , vol.4 , Issue.9 , pp. 3101-3109
    • Crook, J.A.1    Jones, L.A.2    Forster, P.M.3    Crook, R.4
  • 27
    • 0042113153 scopus 로고
    • Self-consistent equations including exchange and correlation effects
    • Kohn, W. and Sham, L. J., "Self-consistent equations including exchange and correlation effects," Phys. Rev. 140, A1133-A1138 (1965).
    • (1965) Phys. Rev. , vol.140
    • Kohn, W.1    Sham, L.J.2
  • 29
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • Perdew, J. P., Burke, K., and Ernzerhoff, M., "Generalized gradient approximation made simple", Phys. Rev. Lett. 77(18), 3865-3868 (1996).
    • (1996) Phys. Rev. Lett. , vol.77 , Issue.18 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhoff, M.3
  • 31
    • 33645426115 scopus 로고
    • Efficient pseudopotentials for plane-wave calculations
    • Troullier, N. and Martins, J. L., "Efficient pseudopotentials for plane-wave calculations", Phys. Rev. B 43(3), 1993-2006 (1991).
    • (1991) Phys. Rev. B , vol.43 , Issue.3 , pp. 1993-2006
    • Troullier, N.1    Martins, J.L.2
  • 34
    • 77954218869 scopus 로고    scopus 로고
    • Direct vs. indirect injection mechanisms in perylene dye-sensitized solar cells: A DFT/TDDFT investigation
    • De Angelis, F., "Direct vs. indirect injection mechanisms in perylene dye-sensitized solar cells: a DFT/TDDFT investigation", Chem. Phys. Lett. 493(4-6), 323-327 (2010).
    • (2010) Chem. Phys. Lett. , vol.493 , Issue.4-6 , pp. 323-327
    • De Angelis, F.1
  • 36
    • 48249133983 scopus 로고    scopus 로고
    • 2 rationalized by ab initio time-domain Density Functional Theory
    • 2 rationalized by ab initio time-domain Density Functional Theory", J. Am. Chem. Soc. 130(30), 9756-9762 (2008).
    • (2008) J. Am. Chem. Soc. , vol.130 , Issue.30 , pp. 9756-9762
    • Duncan, W.R.1    Prezhdo, O.V.2
  • 37
    • 79958724997 scopus 로고    scopus 로고
    • Direct vs indirect mechanisms for electron injection in dye-sensitized solar cells
    • Sanchez-de-Armes, R., Oviedo, J., San Miguel M. A., and Sanz, J. F., "Direct vs indirect mechanisms for electron injection in dye-sensitized solar cells", J. Phys. Chem. C 115(22), 11293-11301 (2011).
    • (2011) J. Phys. Chem. C , vol.115 , Issue.22 , pp. 11293-11301
    • Sanchez-De-Armes, R.1    Oviedo, J.2    San Miguel, M.A.3    Sanz, J.F.4
  • 38
    • 79952362203 scopus 로고    scopus 로고
    • A model for recombination in Type II dye-sensitized solar cells: Catechol-thiophene dyes
    • Manzhos, S., Segawa, H., and Yamashita, K, "A model for recombination in Type II dye-sensitized solar cells: catechol-thiophene dyes ", Chem. Phys. Lett. 504(4-6), 230-235 (2011).
    • (2011) Chem. Phys. Lett. , vol.504 , Issue.4-6 , pp. 230-235
    • Manzhos, S.1    Segawa, H.2    Yamashita, K.3
  • 39
    • 78650813095 scopus 로고    scopus 로고
    • Derivative coupling constants of NK1, NK7 dyes and their relation to excited state dynamics in solar cell applications
    • Manzhos, S., Segawa, H., and Yamashita, K., "Derivative coupling constants of NK1, NK7 dyes and their relation to excited state dynamics in solar cell applications", Chem. Phys. Lett. 501(4-6), 580-586 (2011).
    • (2011) Chem. Phys. Lett. , vol.501 , Issue.4-6 , pp. 580-586
    • Manzhos, S.1    Segawa, H.2    Yamashita, K.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.