메뉴 건너뛰기




Volumn 99, Issue 2, 2013, Pages 440-446

Theoretical studies on organoimido-substituted hexamolybdates dyes for dye-sensitized solar cells (DSSC)

Author keywords

conjugated bridges; Absorption spectrum; Density functional theory; IPCE; Organic inorganic hybrids; Polyoxometalates

Indexed keywords

CONJUGATED BRIDGES; CONJUGATION LENGTH; DYE-SENSITIZED SOLAR CELLS; INJECTION EFFICIENCY; IPCE; ORGANIC-INORGANIC HYBRID; POLYOXOMETALATES; TIME-DEPENDENT DFT;

EID: 84879803114     PISSN: 01437208     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.dyepig.2013.05.027     Document Type: Article
Times cited : (75)

References (44)
  • 1
    • 77956112581 scopus 로고    scopus 로고
    • Improvement of dye-sensitized solar cells: What we know and what we need to know
    • Z.J. Ning, Y. Fu, and H. Tian Improvement of dye-sensitized solar cells: what we know and what we need to know Energy Environ Sci 3 2010 1170 1181
    • (2010) Energy Environ Sci , vol.3 , pp. 1170-1181
    • Ning, Z.J.1    Fu, Y.2    Tian, H.3
  • 2
    • 84860484495 scopus 로고    scopus 로고
    • Naphthyl and thienyl units as the bridge for metal-free dye-sensitized solar cells
    • Y.C. Chen, Y.H. Chen, S. Chaurasia, Y.S. Wen, J.T. Lin, and C.F. Yao Naphthyl and thienyl units as the bridge for metal-free dye-sensitized solar cells Chem Asian J 7 2012 1074 1084
    • (2012) Chem Asian J , vol.7 , pp. 1074-1084
    • Chen, Y.C.1    Chen, Y.H.2    Chaurasia, S.3    Wen, Y.S.4    Lin, J.T.5    Yao, C.F.6
  • 3
    • 84865211952 scopus 로고    scopus 로고
    • Perspectives on ab initio molecular simulation of excited-state properties of organic dye molecules in dye-sensitised solar cells
    • S. Agrawal, N.J. English, K.R. Thampi, and J.M.D. MacElroy Perspectives on ab initio molecular simulation of excited-state properties of organic dye molecules in dye-sensitised solar cells Phys Chem Chem Phys 14 2012 12044 12056
    • (2012) Phys Chem Chem Phys , vol.14 , pp. 12044-12056
    • Agrawal, S.1    English, N.J.2    Thampi, K.R.3    MacElroy, J.M.D.4
  • 4
    • 84858655277 scopus 로고    scopus 로고
    • Near infrared thieno[3,4-b]pyrazine sensitizers for efficient quasi-solid-state dye-sensitized solar cells
    • X.F. Lu, G. Zhou, H. Wang, Q.Y. Feng, and Z.S. Wang Near infrared thieno[3,4-b]pyrazine sensitizers for efficient quasi-solid-state dye-sensitized solar cells Phys Chem Chem Phys 14 2012 4802 4809
    • (2012) Phys Chem Chem Phys , vol.14 , pp. 4802-4809
    • Lu, X.F.1    Zhou, G.2    Wang, H.3    Feng, Q.Y.4    Wang, Z.S.5
  • 5
    • 84862576649 scopus 로고    scopus 로고
    • Photocurrent enhancement of dye-sensitized solar cells owing to increased dye-adsorption onto silicon-nanoparticle-coated titanium-dioxide films
    • E.S. Ha, B. Yoo, H. Baik, Y. Lee, and K.J. Kim Photocurrent enhancement of dye-sensitized solar cells owing to increased dye-adsorption onto silicon-nanoparticle-coated titanium-dioxide films Chem Asian J 7 2012 1624 1629
    • (2012) Chem Asian J , vol.7 , pp. 1624-1629
    • Ha, E.S.1    Yoo, B.2    Baik, H.3    Lee, Y.4    Kim, K.J.5
  • 6
    • 84862518920 scopus 로고    scopus 로고
    • Constructing organic D-A-π-A-featured sensitizers with a quinoxaline unit for high-efficiency solar cells: The effect of an auxiliary acceptor on the absorption and the energy level alignment
    • K. Pei, Y.Z. Wu, Q. Zhang, B.Q. Chen, H. Tian, and W.H. Zhu Constructing organic D-A-π-A-featured sensitizers with a quinoxaline unit for high-efficiency solar cells: the effect of an auxiliary acceptor on the absorption and the energy level alignment Chem Eur J 18 2012 8190 8200
    • (2012) Chem Eur J , vol.18 , pp. 8190-8200
    • Pei, K.1    Wu, Y.Z.2    Zhang, Q.3    Chen, B.Q.4    Tian, H.5    Zhu, W.H.6
  • 7
    • 84873696574 scopus 로고    scopus 로고
    • Organic sensitizers from D-π-A to D-A-π-A: Effect of the internal electron-withdrawing units on molecular absorption, energy levels and photovoltaic performances
    • 10.1039/c2cs35346f
    • Y.Z. Wu, and W.H. Zhu Organic sensitizers from D-π-A to D-A-π-A: effect of the internal electron-withdrawing units on molecular absorption, energy levels and photovoltaic performances Chem Soc Rev 2013 10.1039/c2cs35346f
    • (2013) Chem Soc Rev
    • Wu, Y.Z.1    Zhu, W.H.2
  • 8
    • 0006483573 scopus 로고
    • 2 films
    • 2 films Nature 353 1991 737 740 (Pubitemid 21912607)
    • (1991) Nature , vol.353 , Issue.6346 , pp. 737-740
    • O'Regan, B.1    Gratzel, M.2
  • 9
    • 0035891138 scopus 로고    scopus 로고
    • Photoelectrochemical cells
    • DOI 10.1038/35104607
    • M. Grätzel Photoelectrochemical cells Nature 414 2001 338 344 (Pubitemid 33097816)
    • (2001) Nature , vol.414 , Issue.6861 , pp. 338-344
    • Gratzel, M.1
  • 14
    • 0031649081 scopus 로고    scopus 로고
    • Electrochemical properties of polyoxometalates as electrocatalysts
    • M. Sadakane, and E. Steckhan Electrochemical properties of polyoxometalates as electrocatalysts Chem Rev 98 1998 219 237 (Pubitemid 128633428)
    • (1998) Chemical Reviews , vol.98 , Issue.1 , pp. 219-237
    • Sadakane, M.1    Steckhan, E.2
  • 17
    • 79952257817 scopus 로고    scopus 로고
    • A double-tailed fluorescent surfactant with a hexavanadate cluster as the head group
    • P.C. Yin, P.F. Wu, Z.C. Xiao, D. Li, T.B. Liu, and Y.G. Wei A double-tailed fluorescent surfactant with a hexavanadate cluster as the head group Angew Chem Int Ed Engl 50 2011 2521 2525
    • (2011) Angew Chem Int Ed Engl , vol.50 , pp. 2521-2525
    • Yin, P.C.1    Wu, P.F.2    Xiao, Z.C.3    Li, D.4    Liu, T.B.5    Wei, Y.G.6
  • 18
    • 0034802280 scopus 로고    scopus 로고
    • An efficient and convenient reaction protocol to organoimido derivatives of polyoxometalates
    • DOI 10.1021/ja004033q
    • Y.G. Wei, B.B. Xu, C.L. Barnes, and Z.H. Peng An efficient and convenient reaction protocol to organoimido derivatives of polyoxometalates J Am Chem Soc 123 2001 4083 4084 (Pubitemid 32903930)
    • (2001) Journal of the American Chemical Society , vol.123 , Issue.17 , pp. 4083-4084
    • Wei, Y.1    Xu, B.2    Barnes, C.L.3    Peng, Z.4
  • 19
    • 68949137062 scopus 로고    scopus 로고
    • Synthetic, structural, spectroscopic, electrochemical studies and self-assembly of nanoscale polyoxometalate-organic hybrid molecular dumbbells
    • Y. Zhu, L.S. Wang, J. Hao, Z.C. Xiao, Y.G. Wei, and Y. Wang Synthetic, structural, spectroscopic, electrochemical studies and self-assembly of nanoscale polyoxometalate-organic hybrid molecular dumbbells Cryst Growth Des 9 2009 3509 3518
    • (2009) Cryst Growth des , vol.9 , pp. 3509-3518
    • Zhu, Y.1    Wang, L.S.2    Hao, J.3    Xiao, Z.C.4    Wei, Y.G.5    Wang, Y.6
  • 21
    • 77951682114 scopus 로고    scopus 로고
    • Polyoxometalatocyclophanes: Controlled assembly of polyoxometalate-based chiral metallamacrocycles from achiral building blocks
    • F.P. Xiao, J. Hao, J. Zhang, C.L. Lv, L.S. Wang, and Y.G. Wei Polyoxometalatocyclophanes: controlled assembly of polyoxometalate-based chiral metallamacrocycles from achiral building blocks J Am Chem Soc 132 2010 5956 5957
    • (2010) J Am Chem Soc , vol.132 , pp. 5956-5957
    • Xiao, F.P.1    Hao, J.2    Zhang, J.3    Lv, C.L.4    Wang, L.S.5    Wei, Y.G.6
  • 22
    • 77949335978 scopus 로고    scopus 로고
    • 2-: Electron donors with magnitude of conjugated groups or length of conjugated chain
    • 2-: electron donors with magnitude of conjugated groups or length of conjugated chain J Mol Struct 947 2010 9 15
    • (2010) J Mol Struct , vol.947 , pp. 9-15
    • Song, P.1    Guan, W.2    Liu, C.G.3    Yan, L.K.4    Yao, C.5    Su, Z.M.6
  • 23
    • 84868371046 scopus 로고    scopus 로고
    • Quantum mechanical design of efficient second-order nonlinear optical materials based on heteroaromatic imido-substituted hexamolybdates: First theoretical framework of POM-based heterocyclic aromatic rings
    • M.R.S.A. Janjua Quantum mechanical design of efficient second-order nonlinear optical materials based on heteroaromatic imido-substituted hexamolybdates: first theoretical framework of POM-based heterocyclic aromatic rings Inorg Chem 51 2012 11306 11314
    • (2012) Inorg Chem , vol.51 , pp. 11306-11314
    • Janjua, M.R.S.A.1
  • 24
    • 34347208325 scopus 로고    scopus 로고
    • Naphthylimido-substituted hexamolybdate: Preparation, crystal structures, solvent effects, and optical properties of tree plymorphs
    • J. Hao, L. Ruhlmann, Y.L. Zhu, Q. Li, and Y.G. Wei Naphthylimido- substituted hexamolybdate: preparation, crystal structures, solvent effects, and optical properties of tree plymorphs Inorg Chem 46 2007 4960 4967
    • (2007) Inorg Chem , vol.46 , pp. 4960-4967
    • Hao, J.1    Ruhlmann, L.2    Zhu, Y.L.3    Li, Q.4    Wei, Y.G.5
  • 25
    • 20744455681 scopus 로고    scopus 로고
    • Synthesis and optical properties of conjugated polymers containing polyoxometalate clusters as side-chain pendants
    • DOI 10.1021/cm050188r
    • B.B. Xu, M. Lu, J. Kang, D.G. Wang, J. Brown, and Z.H. Peng Synthesis and optical properties of conjugated polymers containing polyoxometalate clusters as side-chain pendants Chem Mater 17 2005 2841 2851 (Pubitemid 40850252)
    • (2005) Chemistry of Materials , vol.17 , Issue.11 , pp. 2841-2851
    • Xu, B.1    Lu, M.2    Kang, J.3    Wang, D.4    Brown, J.5    Peng, Z.6
  • 27
    • 12344283547 scopus 로고    scopus 로고
    • Synthesis of main-chain polyoxometalate-containing hybrid polymers and their applications in photovoltaic cells
    • DOI 10.1021/cm049003r
    • M. Lu, B.H. Xie, J. Kang, F.C. Chen, Y. Yang, and Z.H. Peng Synthesis of main-chain polyoxometalate-containing hybrid polymers and their applications in photovoltaic cells Chem Mater 17 2005 402 408 (Pubitemid 40139715)
    • (2005) Chemistry of Materials , vol.17 , Issue.2 , pp. 402-408
    • Lu, M.1    Xie, B.2    Kang, J.3    Chen, F.-C.4    Yang, Y.5    Peng, Z.6
  • 28
    • 78649719357 scopus 로고    scopus 로고
    • Enhanced photovoltaic response by incorporating polyoxometalate into a phthalocyanine-sensitized electrode
    • Y.B. Yang, L. Xu, F.Y. Li, X.G. Du, and Z.X. Sun Enhanced photovoltaic response by incorporating polyoxometalate into a phthalocyanine-sensitized electrode J Mater Chem 20 2010 10835 10840
    • (2010) J Mater Chem , vol.20 , pp. 10835-10840
    • Yang, Y.B.1    Xu, L.2    Li, F.Y.3    Du, X.G.4    Sun, Z.X.5
  • 29
  • 30
    • 83455235315 scopus 로고    scopus 로고
    • Density functional theory characterization and design of high-performance diarylamine-fluorene dyes with different π spacers for dye-sensitized solar cells
    • J. Zhang, H.B. Li, S.L. Sun, Y. Geng, Y. Wu, and Z.M. Su Density functional theory characterization and design of high-performance diarylamine-fluorene dyes with different π spacers for dye-sensitized solar cells J Mater Chem 22 2012 568 576
    • (2012) J Mater Chem , vol.22 , pp. 568-576
    • Zhang, J.1    Li, H.B.2    Sun, S.L.3    Geng, Y.4    Wu, Y.5    Su, Z.M.6
  • 31
    • 79251562204 scopus 로고    scopus 로고
    • On the viability of cyclometalated Ru(II) complexes as dyes in DSSC regulated by COOH group, a DFT study
    • J. Wang, F.Q. Bai, B.H. Xia, L. Feng, H.X. Zhang, and Q.J. Pan On the viability of cyclometalated Ru(II) complexes as dyes in DSSC regulated by COOH group, a DFT study Phys Chem Chem Phys 13 2011 2206 2213
    • (2011) Phys Chem Chem Phys , vol.13 , pp. 2206-2213
    • Wang, J.1    Bai, F.Q.2    Xia, B.H.3    Feng, L.4    Zhang, H.X.5    Pan, Q.J.6
  • 32
    • 84873456458 scopus 로고    scopus 로고
    • A rational design for dye sensitizer: Density functional theory study on the electronic absorption spectra of organoimido substituted hexamolybdates
    • J. Wang, S. Cong, S.-Z. Wen, L.-K. Yan, and Z.-M. Su A rational design for dye sensitizer: density functional theory study on the electronic absorption spectra of organoimido substituted hexamolybdates J Phys Chem C 117 2013 2245 2251
    • (2013) J Phys Chem C , vol.117 , pp. 2245-2251
    • Wang, J.1    Cong, S.2    Wen, S.-Z.3    Yan, L.-K.4    Su, Z.-M.5
  • 33
    • 84861642396 scopus 로고    scopus 로고
    • Acene-modified triphenylamine dyes for dye-sensitized solar cells: A computational study
    • W.J. Fan, D.Z. Tan, and W.Q. Deng Acene-modified triphenylamine dyes for dye-sensitized solar cells: a computational study ChemPhysChem 13 2012 2051 2060
    • (2012) ChemPhysChem , vol.13 , pp. 2051-2060
    • Fan, W.J.1    Tan, D.Z.2    Deng, W.Q.3
  • 34
    • 77949826052 scopus 로고    scopus 로고
    • Electronic properties of unprecedented bridging organoimido-substituted hexamolybdate: New insights from density functional theory study
    • L.K. Yan, M.S. Jin, P. Song, and Z.M. Su Electronic properties of unprecedented bridging organoimido-substituted hexamolybdate: new insights from density functional theory study J Phys Chem B 114 2010 3754 3758
    • (2010) J Phys Chem B , vol.114 , pp. 3754-3758
    • Yan, L.K.1    Jin, M.S.2    Song, P.3    Su, Z.M.4
  • 37
    • 20644438873 scopus 로고    scopus 로고
    • Chemistry with ADF
    • DOI 10.1002/jcc.1056
    • G. te Velde, F.M. Bickelhaupt, C.F. Guerra, S.J.A.V. Gisbergen, J.G. Snijders, and T. Ziegler Chemistry with ADF J Comput Chem 22 2001 931 967 (Pubitemid 32455733)
    • (2001) Journal of Computational Chemistry , vol.22 , Issue.9 , pp. 931-967
    • Bickelhaupt, F.M.1
  • 39
    • 84884815654 scopus 로고    scopus 로고
    • ADF2009.01, SCM. Theoretical chemistry. Amsterdam, The Netherlands: Vrije Universiteit
    • ADF2009.01, SCM. Theoretical chemistry. Amsterdam, The Netherlands: Vrije Universiteit, http://www.scm.com.
  • 40
    • 0000211269 scopus 로고    scopus 로고
    • Molecular calculations of excitation energies and (hyper)polarizabilities with a statistical average of orbital model exchange-correlation potentials
    • P.R.T. Schipper, O.V. Gritsenko, S.J.A. van Gisbergen, and E.J. Baerends Molecular calculations of excitation energies and (hyper)polarizabilities with a statistical average of orbital model exchange-correlation potentials J Chem Phys 112 2000 1344 1352
    • (2000) J Chem Phys , vol.112 , pp. 1344-1352
    • Schipper, P.R.T.1    Gritsenko, O.V.2    Van Gisbergen, S.J.A.3    Baerends, E.J.4
  • 41
    • 79960707806 scopus 로고    scopus 로고
    • A rational design strategy for donors in organic solar cells: The conjugated planar molecules possessing anisotropic multibranches and intramolecular charge transfer
    • X. Yong, and J.P. Zhang A rational design strategy for donors in organic solar cells: the conjugated planar molecules possessing anisotropic multibranches and intramolecular charge transfer J Mater Chem 21 2011 11159 11166
    • (2011) J Mater Chem , vol.21 , pp. 11159-11166
    • Yong, X.1    Zhang, J.P.2
  • 43
    • 70349923784 scopus 로고    scopus 로고
    • First principles modeling of eosin-loaded ZnO films: A step toward the understanding of dye-sensitized solar cell performances
    • F. Labat, I. Ciofini, H.P. Hratchian, M. Frisch, K. Raghavachari, and C. Adamo First principles modeling of eosin-loaded ZnO films: a step toward the understanding of dye-sensitized solar cell performances J Am Chem Soc 131 2009 14290 14298
    • (2009) J Am Chem Soc , vol.131 , pp. 14290-14298
    • Labat, F.1    Ciofini, I.2    Hratchian, H.P.3    Frisch, M.4    Raghavachari, K.5    Adamo, C.6
  • 44
    • 79957778498 scopus 로고    scopus 로고
    • Theoretical procedure for optimizing dye-sensitized solar cells: From electronic structure to photovoltaic efficiency
    • T.L. Bahers, F. Labat, T. Pauporté, P.P. Lainé, and I. Ciofini Theoretical procedure for optimizing dye-sensitized solar cells: from electronic structure to photovoltaic efficiency J Am Chem Soc 133 2011 8005 8013
    • (2011) J Am Chem Soc , vol.133 , pp. 8005-8013
    • Bahers, T.L.1    Labat, F.2    Pauporté, T.3    Lainé, P.P.4    Ciofini, I.5


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.