메뉴 건너뛰기




Volumn 248, Issue , 2012, Pages 63-72

Tuning the photovoltaic parameters of β-substituted porphyrin analogues: An experimental and theoretical approach

Author keywords

Density functional theory; Dye sensitized solar cell; Guanidinium thiocyanate; Multi coordinate porphyrin complex; Solvent effect; Tert butylpyridine

Indexed keywords


EID: 84866524948     PISSN: 10106030     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jphotochem.2012.08.011     Document Type: Article
Times cited : (13)

References (69)
  • 1
    • 0002372194 scopus 로고    scopus 로고
    • Applications of porphyrins and metalloporphyrins to materials chemistry
    • K.M. Kadish, K.M. Smith, R. Guilard, Academic Press New York
    • J.-H. Chou, M.E. Kosal, H.S. Nalwa, N.A. Rakow, and K.S. Suslick Applications of porphyrins and metalloporphyrins to materials chemistry K.M. Kadish, K.M. Smith, R. Guilard, The Porphryin Handbook 2000 Academic Press New York 43 131
    • (2000) The Porphryin Handbook , pp. 43-131
    • Chou, J.-H.1    Kosal, M.E.2    Nalwa, H.S.3    Rakow, N.A.4    Suslick, K.S.5
  • 2
    • 67650669979 scopus 로고    scopus 로고
    • A spectroscopic and DFT study of thiophene-substituted metalloporphyrins as dye-sensitized solar cell dyes
    • S.J. Lind, K.C. Gordon, S. Gambhir, and D.L. Officer A spectroscopic and DFT study of thiophene-substituted metalloporphyrins as dye-sensitized solar cell dyes Physical Chemistry Chemical Physics 11 2009 5598 5607
    • (2009) Physical Chemistry Chemical Physics , vol.11 , pp. 5598-5607
    • Lind, S.J.1    Gordon, K.C.2    Gambhir, S.3    Officer, D.L.4
  • 5
    • 3442902463 scopus 로고    scopus 로고
    • Application of metalloporphyrins in nanocrystalline dye-sensitized solar cells for conversion of sunlight into electricity
    • M.K. Nazeeruddin, R. Humphry-Baker, D.L. Officer, W.M. Campbell, A.K. Burrell, and M. Grätzel Application of metalloporphyrins in nanocrystalline dye-sensitized solar cells for conversion of sunlight into electricity Langmuir 20 2004 6514 6517
    • (2004) Langmuir , vol.20 , pp. 6514-6517
    • Nazeeruddin, M.K.1    Humphry-Baker, R.2    Officer, D.L.3    Campbell, W.M.4    Burrell, A.K.5    Grätzel, M.6
  • 9
    • 84961982002 scopus 로고    scopus 로고
    • Chlorophyll - A derivatives with various hydrocarbon ester groups for efficient dye-sensitized solar cells: Static and ultrafast evaluations on electron injection and charge collection processes
    • X.-F. Wang, H. Tamiaki, L. Wang, N. Tamai, O. Kitao, H. Zhou, and S.-i. Sasaki Chlorophyll-a derivatives with various hydrocarbon ester groups for efficient dye-sensitized solar cells: static and ultrafast evaluations on electron injection and charge collection processes Langmuir 26 2010 6320 6327
    • (2010) Langmuir , vol.26 , pp. 6320-6327
    • Wang, X.-F.1    Tamiaki, H.2    Wang, L.3    Tamai, N.4    Kitao, O.5    Zhou, H.6    Sasaki, S.-I.7
  • 11
    • 83455244795 scopus 로고    scopus 로고
    • Supramolecular light harvesting antennas to enhance absorption cross-section in dye-sensitized solar cells
    • J. Warnan, Y. Pellegrin, E. Blart, and F. Odobel Supramolecular light harvesting antennas to enhance absorption cross-section in dye-sensitized solar cells Chemical Communications 48 2012 675 677
    • (2012) Chemical Communications , vol.48 , pp. 675-677
    • Warnan, J.1    Pellegrin, Y.2    Blart, E.3    Odobel, F.4
  • 12
    • 72849106770 scopus 로고    scopus 로고
    • Large π-aromatic molecules as potential sensitizers for highly efficient dye-sensitized solar cells
    • H. Imahori, T. Umeyama, and S. Ito Large π-aromatic molecules as potential sensitizers for highly efficient dye-sensitized solar cells Accounts of Chemical Research 42 2009 1809 1818
    • (2009) Accounts of Chemical Research , vol.42 , pp. 1809-1818
    • Imahori, H.1    Umeyama, T.2    Ito, S.3
  • 13
    • 84859146649 scopus 로고    scopus 로고
    • Self-assembling porphyrins and phthalocyanines for photoinduced charge separation and charge transport
    • H. Imahori, T. Umeyama, K. Kurotobi, and Y. Takano Self-assembling porphyrins and phthalocyanines for photoinduced charge separation and charge transport Chemical Communications 48 2012 4032 4045
    • (2012) Chemical Communications , vol.48 , pp. 4032-4045
    • Imahori, H.1    Umeyama, T.2    Kurotobi, K.3    Takano, Y.4
  • 14
    • 77954061540 scopus 로고    scopus 로고
    • Effects of π-elongation and the fused position of quinoxaline-fused porphyrins as sensitizers in dye-sensitized solar cells on optical, electrochemical, and photovoltaic properties
    • A. Kira, Y. Matsubara, H. Iijima, T. Umeyama, Y. Matano, S. Ito, M. Niemi, N.V. Tkachenko, H. Lemmetyinen, and H. Imahori Effects of π-elongation and the fused position of quinoxaline-fused porphyrins as sensitizers in dye-sensitized solar cells on optical, electrochemical, and photovoltaic properties Journal of Physical Chemistry C 114 2010 11293 11304
    • (2010) Journal of Physical Chemistry C , vol.114 , pp. 11293-11304
    • Kira, A.1    Matsubara, Y.2    Iijima, H.3    Umeyama, T.4    Matano, Y.5    Ito, S.6    Niemi, M.7    Tkachenko, N.V.8    Lemmetyinen, H.9    Imahori, H.10
  • 15
    • 77956803717 scopus 로고    scopus 로고
    • Lighting porphyrins and phthalocyanines for molecular photovoltaics
    • M.V. Martinez-Diaz, G. de la Torre, and T. Torres Lighting porphyrins and phthalocyanines for molecular photovoltaics Chemical Communications 46 2010 7090 7108
    • (2010) Chemical Communications , vol.46 , pp. 7090-7108
    • Martinez-Diaz, M.V.1    De La Torre, G.2    Torres, T.3
  • 17
    • 26944495269 scopus 로고    scopus 로고
    • Solar energy conversion by dye-sensitized photovoltaic cells
    • M. Grätzel Solar energy conversion by dye-sensitized photovoltaic cells Inorganic Chemistry 44 2005 6841 6851
    • (2005) Inorganic Chemistry , vol.44 , pp. 6841-6851
    • Grätzel, M.1
  • 20
    • 49649112150 scopus 로고    scopus 로고
    • DFT/TD-DFT molecular design of porphyrin analogues for use in dye-sensitized solar cells
    • M.P. Balanay, and D.H. Kim DFT/TD-DFT molecular design of porphyrin analogues for use in dye-sensitized solar cells Physical Chemistry Chemical Physics 10 2008 5121 5127
    • (2008) Physical Chemistry Chemical Physics , vol.10 , pp. 5121-5127
    • Balanay, M.P.1    Kim, D.H.2
  • 22
    • 63249133442 scopus 로고    scopus 로고
    • A density functional theory study on photophysical properties of red light-emitting materials: Meso-substituted porphyrins
    • X. Ren, A. Ren, J. Feng, and C. Sun A density functional theory study on photophysical properties of red light-emitting materials: meso-substituted porphyrins Journal of Photochemistry and Photobiology A 203 2009 92 99
    • (2009) Journal of Photochemistry and Photobiology A , vol.203 , pp. 92-99
    • Ren, X.1    Ren, A.2    Feng, J.3    Sun, C.4
  • 23
    • 84962376182 scopus 로고    scopus 로고
    • Time-dependent and coupled-perturbed DFT and HF investigations on the absorption spectrum and non-linear optical properties of push-pull M (II)-porphyrin complexes (M = Zn, Cu, Ni)
    • F. De Angelis, S. Fantacci, A. Sgamellotti, M. Pizzotti, F. Tessore, and A. Orbelli Biroli Time-dependent and coupled-perturbed DFT and HF investigations on the absorption spectrum and non-linear optical properties of push-pull M (II)-porphyrin complexes (M = Zn, Cu, Ni) Chemical Physics Letters 447 2007 10 15
    • (2007) Chemical Physics Letters , vol.447 , pp. 10-15
    • De Angelis, F.1    Fantacci, S.2    Sgamellotti, A.3    Pizzotti, M.4    Tessore, F.5    Orbelli Biroli, A.6
  • 26
    • 54149092715 scopus 로고    scopus 로고
    • One-dimensional porphyrin H-aggregates induced by solvent polarity
    • M.-S. Choi One-dimensional porphyrin H-aggregates induced by solvent polarity Tetrahedron Letters 49 2008 7050 7053
    • (2008) Tetrahedron Letters , vol.49 , pp. 7050-7053
    • Choi, M.-S.1
  • 28
    • 0000384572 scopus 로고
    • Crystal and molecular structure of a six-coordinate zinc porphyrin: Bis(tetrahydrofuran)(5,10,15,20-tetraphenylporphinato)zinc(II)
    • C.K. Schauer, O.P. Anderson, S.S. Eaton, and G.R. Eaton Crystal and molecular structure of a six-coordinate zinc porphyrin: bis(tetrahydrofuran)(5, 10,15,20-tetraphenylporphinato)zinc(II) Inorganic Chemistry 24 1985 4082 4086
    • (1985) Inorganic Chemistry , vol.24 , pp. 4082-4086
    • Schauer, C.K.1    Anderson, O.P.2    Eaton, S.S.3    Eaton, G.R.4
  • 29
    • 0034671406 scopus 로고    scopus 로고
    • Temperature dependence study of five-coordinate complex formation of zinc(II) octaethyl and tetraphenylporphyrin
    • G. Szintay, and A. Horváth Temperature dependence study of five-coordinate complex formation of zinc(II) octaethyl and tetraphenylporphyrin Inorganica Chimica Acta 310 2000 175 182
    • (2000) Inorganica Chimica Acta , vol.310 , pp. 175-182
    • Szintay, G.1    Horváth, A.2
  • 30
    • 0016232420 scopus 로고
    • Ferrous porphyrins in organic solvents. I. Preparation and coordinating properties
    • D. Brault, and M. Rougee Ferrous porphyrins in organic solvents. I. Preparation and coordinating properties Biochemistry 13 1974 4591 4597
    • (1974) Biochemistry , vol.13 , pp. 4591-4597
    • Brault, D.1    Rougee, M.2
  • 31
    • 1542356431 scopus 로고    scopus 로고
    • Solvent effects. 5. Influence of cavity shape, truncation of electrostatics, and electron correlation on ab initio reaction field calculations
    • J.B. Foresman, T.A. Keith, K.B. Wiberg, J. Snoonian, and M.J. Frisch Solvent effects. 5. Influence of cavity shape, truncation of electrostatics, and electron correlation on ab initio reaction field calculations Journal of Physical Chemistry 100 1996 16098 16104
    • (1996) Journal of Physical Chemistry , vol.100 , pp. 16098-16104
    • Foresman, J.B.1    Keith, T.A.2    Wiberg, K.B.3    Snoonian, J.4    Frisch, M.J.5
  • 32
    • 84962349001 scopus 로고    scopus 로고
    • Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model
    • M. Cossi, N. Rega, G. Scalmani, and V. Barone Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model Journal of Computational Chemistry 24 2003 669 681
    • (2003) Journal of Computational Chemistry , vol.24 , pp. 669-681
    • Cossi, M.1    Rega, N.2    Scalmani, G.3    Barone, V.4
  • 33
    • 84962361532 scopus 로고    scopus 로고
    • Benchmarking the conductor-like polarizable continuum model (CPCM) for aqueous solvation free energies of neutral and ionic organic molecules
    • Y. Takano, and K.N. Houk Benchmarking the conductor-like polarizable continuum model (CPCM) for aqueous solvation free energies of neutral and ionic organic molecules Journal of Chemical Theory and Computation 1 2004 70 77
    • (2004) Journal of Chemical Theory and Computation , vol.1 , pp. 70-77
    • Takano, Y.1    Houk, K.N.2
  • 34
    • 65249187748 scopus 로고    scopus 로고
    • Small molecule hydration free energies in explicit solvent: An extensive test of fixed-charge atomistic simulations
    • D.L. Mobley, C.I. Bayly, M.D. Cooper, M.R. Shirts, and K.A. Dill Small molecule hydration free energies in explicit solvent: an extensive test of fixed-charge atomistic simulations Journal of Chemical Theory and Computation 5 2009 350 358
    • (2009) Journal of Chemical Theory and Computation , vol.5 , pp. 350-358
    • Mobley, D.L.1    Bayly, C.I.2    Cooper, M.D.3    Shirts, M.R.4    Dill, K.A.5
  • 35
    • 66249098105 scopus 로고    scopus 로고
    • Excitation energies of zinc porphyrin in aqueous solution using long-range corrected time-dependent density functional theory
    • N. Govind, M. Valiev, L. Jensen, and K. Kowalski Excitation energies of zinc porphyrin in aqueous solution using long-range corrected time-dependent density functional theory Journal of Physical Chemistry A 113 2009 6041 6043
    • (2009) Journal of Physical Chemistry A , vol.113 , pp. 6041-6043
    • Govind, N.1    Valiev, M.2    Jensen, L.3    Kowalski, K.4
  • 36
    • 33644922365 scopus 로고    scopus 로고
    • Adding explicit solvent molecules to continuum solvent calculations for the calculation of aqueous acid dissociation constants
    • C.P. Kelly, C.J. Cramer, and D.G. Truhlar Adding explicit solvent molecules to continuum solvent calculations for the calculation of aqueous acid dissociation constants Journal of Physical Chemistry A 110 2006 2493 2499
    • (2006) Journal of Physical Chemistry A , vol.110 , pp. 2493-2499
    • Kelly, C.P.1    Cramer, C.J.2    Truhlar, D.G.3
  • 39
    • 0000189651 scopus 로고
    • Density-functional thermochemistry. III. The role of exact exchange
    • A.D. Becke Density-functional thermochemistry. III. The role of exact exchange Journal of Chemical Physics 98 1993 5648
    • (1993) Journal of Chemical Physics , vol.98 , pp. 5648
    • Becke, A.D.1
  • 40
    • 0345491105 scopus 로고
    • Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
    • C. Lee, W. Yang, and R.G. Parr Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Physical Review B 37 1988 785 789
    • (1988) Physical Review B , vol.37 , pp. 785-789
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 41
    • 77957265912 scopus 로고    scopus 로고
    • Optical properties of porphyrin analogues for solar cells: An NLO approach
    • M.P. Balanay, and D.H. Kim Optical properties of porphyrin analogues for solar cells: an NLO approach Current Applied Physics 11 2011 109 116
    • (2011) Current Applied Physics , vol.11 , pp. 109-116
    • Balanay, M.P.1    Kim, D.H.2
  • 42
    • 3142771297 scopus 로고    scopus 로고
    • A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
    • T. Yanai, D.P. Tew, and N.C. Handy A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP) Chemical Physics Letters 393 2004 51 57
    • (2004) Chemical Physics Letters , vol.393 , pp. 51-57
    • Yanai, T.1    Tew, D.P.2    Handy, N.C.3
  • 43
    • 33748375173 scopus 로고    scopus 로고
    • Density functional theory for charge transfer: The nature of the N-bands of porphyrins and chlorophylls revealed through CAM-B3LYP, CASPT2, and SAC-CI calculations
    • Z.L. Cai, M.J. Crossley, J.R. Reimers, R. Kobayashi, and R.D. Amos Density functional theory for charge transfer: the nature of the N-bands of porphyrins and chlorophylls revealed through CAM-B3LYP, CASPT2, and SAC-CI calculations Journal of Physical Chemistry B 110 2006 15624 15632
    • (2006) Journal of Physical Chemistry B , vol.110 , pp. 15624-15632
    • Cai, Z.L.1    Crossley, M.J.2    Reimers, J.R.3    Kobayashi, R.4    Amos, R.D.5
  • 44
  • 45
    • 1642335199 scopus 로고    scopus 로고
    • Failure of time-dependent density functional theory for long-range charge-transfer excited states: The zincbacteriochlorin-bacteriochlorin and bacteriochlorophyll-spheroidene complexes
    • A. Dreuw, and M. Head-Gordon Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin- bacteriochlorin and bacteriochlorophyll-spheroidene complexes Journal of the American Chemical Society 126 2004 4007 4016
    • (2004) Journal of the American Chemical Society , vol.126 , pp. 4007-4016
    • Dreuw, A.1    Head-Gordon, M.2
  • 46
    • 79951983554 scopus 로고    scopus 로고
    • Application of long-range-corrected density functional in metallated porphyrin analogues for dye-sensitized solar cells
    • M.P. Balanay, S.H. Lee, S.C. Yu, and D.H. Kim Application of long-range-corrected density functional in metallated porphyrin analogues for dye-sensitized solar cells Bulletin of the Korean Chemical Society 32 2011 705 708
    • (2011) Bulletin of the Korean Chemical Society , vol.32 , pp. 705-708
    • Balanay, M.P.1    Lee, S.H.2    Yu, S.C.3    Kim, D.H.4
  • 48
    • 39749107375 scopus 로고    scopus 로고
    • The influence of solvent polarity on spectroscopic properties of 5-[4-(5-carboxy-1-butoxy)-phenyl]-10,15,20-tris(4-N-methylpyridiniumyl) porphyrin and its complexes with Fe(III) and Mn(III) ions
    • M. Makarska-Bialokoz, G. Pratviel, and S. Radzki The influence of solvent polarity on spectroscopic properties of 5-[4-(5-carboxy-1-butoxy)-phenyl]-10, 15,20-tris(4-N-methylpyridiniumyl)porphyrin and its complexes with Fe(III) and Mn(III) ions Journal of Molecular Structure 875 2008 468 477
    • (2008) Journal of Molecular Structure , vol.875 , pp. 468-477
    • Makarska-Bialokoz, M.1    Pratviel, G.2    Radzki, S.3
  • 49
    • 4644305932 scopus 로고    scopus 로고
    • Solvatochromic shift of phthalocyanine Q-band governed by a single solvent parameter
    • H. Isago, Y. Kagaya, and A. Matsushita Solvatochromic shift of phthalocyanine Q-band governed by a single solvent parameter Chemistry Letters 33 2004 862 863
    • (2004) Chemistry Letters , vol.33 , pp. 862-863
    • Isago, H.1    Kagaya, Y.2    Matsushita, A.3
  • 50
    • 56749087107 scopus 로고    scopus 로고
    • Synthesis and solvent effects on the photophysicochemical properties of novel cadmium phenoxy phthalocyanines
    • W. Chidawanyika, E. Antunes, and T. Nyokong Synthesis and solvent effects on the photophysicochemical properties of novel cadmium phenoxy phthalocyanines Journal of Photochemistry and Photobiology A 195 2008 183 190
    • (2008) Journal of Photochemistry and Photobiology A , vol.195 , pp. 183-190
    • Chidawanyika, W.1    Antunes, E.2    Nyokong, T.3
  • 51
    • 79956335749 scopus 로고    scopus 로고
    • Solvent effects on the photophysicochemical properties of tetra(tert-butylphenoxy) phthalocyaninato zinc (II)
    • A. Ogunsipe, and T. Nyokong Solvent effects on the photophysicochemical properties of tetra(tert-butylphenoxy) phthalocyaninato zinc (II) Acta Physico Chimica Sinica 27 2011 1045 1052
    • (2011) Acta Physico Chimica Sinica , vol.27 , pp. 1045-1052
    • Ogunsipe, A.1    Nyokong, T.2
  • 52
    • 79958776457 scopus 로고    scopus 로고
    • 2,7-Diaminofluorene-based organic dyes for dye-sensitized solar cells: Effect of auxiliary donor on optical and electrochemical properties
    • A. Baheti, P. Singh, C.-P. Lee, K.R.J. Thomas, and K.-C. Ho 2,7-Diaminofluorene-based organic dyes for dye-sensitized solar cells: effect of auxiliary donor on optical and electrochemical properties Journal of Organic Chemistry 76 2011 4910 4920
    • (2011) Journal of Organic Chemistry , vol.76 , pp. 4910-4920
    • Baheti, A.1    Singh, P.2    Lee, C.-P.3    Thomas, K.R.J.4    Ho, K.-C.5
  • 54
    • 0001750873 scopus 로고
    • Synthesis and characterization of five-coordinate high-spin iron(II) porphyrin complexes with unusually large quadrupole splittings. Models for the P460 center of hydroxylamine oxidoreductase from nitrosomonas
    • H. Nasri, J. Fischer, R. Weiss, E. Bill, and A. Trautwein Synthesis and characterization of five-coordinate high-spin iron(II) porphyrin complexes with unusually large quadrupole splittings. Models for the P460 center of hydroxylamine oxidoreductase from nitrosomonas Journal of the American Chemical Society 109 1987 2549 2550
    • (1987) Journal of the American Chemical Society , vol.109 , pp. 2549-2550
    • Nasri, H.1    Fischer, J.2    Weiss, R.3    Bill, E.4    Trautwein, A.5
  • 61
    • 73849147176 scopus 로고    scopus 로고
    • Photoelectrochemical effects of guanidinium thiocyanate on dye-sensitized solar cell performance and stability
    • C. Zhang, Y. Huang, Z. Huo, S. Chen, and S. Dai Photoelectrochemical effects of guanidinium thiocyanate on dye-sensitized solar cell performance and stability Journal of Physical Chemistry C 113 2009 21779 21783
    • (2009) Journal of Physical Chemistry C , vol.113 , pp. 21779-21783
    • Zhang, C.1    Huang, Y.2    Huo, Z.3    Chen, S.4    Dai, S.5
  • 67
    • 0346308455 scopus 로고    scopus 로고
    • Chemical capacitance of nanostructured semiconductors: Its origin and significance for nanocomposite solar cells
    • J. Bisquert Chemical capacitance of nanostructured semiconductors: its origin and significance for nanocomposite solar cells Physical Chemistry Chemical Physics 5 2003 5360 5364
    • (2003) Physical Chemistry Chemical Physics , vol.5 , pp. 5360-5364
    • Bisquert, J.1
  • 69
    • 2442650517 scopus 로고    scopus 로고
    • Conversion of sunlight to electric power by nanocrystalline dye-sensitized solar cells
    • M. Grätzel Conversion of sunlight to electric power by nanocrystalline dye-sensitized solar cells Journal of Photochemistry and Photobiology A 164 2004 3 14
    • (2004) Journal of Photochemistry and Photobiology A , vol.164 , pp. 3-14
    • Grätzel, M.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.