Theoretical design of organoimido-substituted hexamolybdates with different electron donors for dye-sensitized solar cells

Dyes and Pigments

Volumn 102, Issue , 2014, Pages 6-12

  Wei, Yonghuai ^a   Zhang, Ting ^a   Lang, Zhongling ^a   Yan, Likai ^a   Su, Zhongmin ^a  

^a NORTHEAST NORMAL UNIVERSITY   (China)

Author keywords

Absorption spectra; Density functional theory; Electron donors; Hexamolybdates; Jsc; Solar cell

Indexed keywords

3 ,4 ETHYLENEDIOXYTHIOPHENE (EDOT); ABSORPTION WAVELENGTHS; DYE-SENSITIZED SOLAR CELL; ELECTRON DONORS; HEXAMOLYBDATES; JSC; SOLAR CELL MATERIALS; THEORETICAL DESIGN;

ABSORPTION SPECTRA; DENSITY FUNCTIONAL THEORY; DESIGN FOR TESTABILITY; ELECTRONIC STRUCTURE; SOLAR CELLS;

ORGANIC POLYMERS;

EID: 84887077906     PISSN: 01437208     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.dyepig.2013.10.034     Document Type: Article

References (43)

1. 2 films Nature 353 1991 737 740 (Pubitemid 21912607)
2. 2 film with high molar extinction coefficient ruthenium sensitizers for high performance dye-sensitized solar cells J Am Chem Soc 130 2008 10720 10728
3. A. Mishra, M.K.R. Fischer, and P. Bäuerle Metal-free organic dyes for dye-sensitized solar cells: from structure: property relationships to design rules Angew Chem Int Ed 48 2009 2474 2499
4. Y. Chiba, A. Islam, Y. Watanabe, R. Komiya, N. Koide, and L. Han Dye-sensitized solar cells with conversion efficiency of 11.1% Jpn J Appl Phys 45 2006 638 640
5. Z.J. Huang, G. Natu, Z.Q. Ji, P. Hasin, and Y.Y. Wu P-type dye-sensitized NiO solar cells: a study by electrochemical impedance spectroscopy J Phys Chem C 115 2011 25109 25114
6. J. He, H. Lindström, A. Hagfeldt, and S.E. Lindquist Dye-sensitized nanostructured p-type nickel oxide film as a photocathode for a solar cell J Phys Chem B 103 1999 8940 8943 (Pubitemid 129613947)
7. P. Qin, H.J. Zhu, T. Edvinsson, G. Boschloo, A. Hagfeldt, and L.C. Sun Design of an organic chromophore for p-type dye-sensitized solar cells J Am Chem Soc 130 2008 8570 8571 (Pubitemid 351962472)
8. E.A. Gibson, A.L. Smeigh, L. le Pleux, J. Fortage, G. Boschloo, and E. Blart A p-type NiO-based dye-sensitized solar cell with an open-circuit voltage of 0.35 V Angew Chem Int Ed 48 2009 4402 4405
9. L. Li, E.A. Gibson, P. Qin, G. Boschloo, M. Gorlov, and A. Hagfeldt Double-layered NiO photocathodes for p-type DSSCs with record IPCE Adv Mater 22 2010 1759 1762
10. S. Uehara, S. Sumikura, E. Suzuki, and S. Mori Retardation of electron injection at NiO/dye/electrolyte interface by aluminium alkoxide treatment Energy Environ Sci 3 2010 641 644
11. A. Nattestad, A.J. Mozer, M.K.R. Fischer, Y.B. Cheng, A. Mishra, and P. Bauerle Highly efficient photocathodes for dye-sensitized tandem solar cells Nat Mater 9 2010 31 35
12. X. Zhang, F.Z. Huang, A. Nattestad, K. Wang, D.C. Fu, and A. Mishra Enhanced open-circuit voltage of p-type DSC with highly crystalline NiO nanoparticles Chem Commun 47 2011 4808 4810
13. Z.Q. Ji, G. Natu, Z.J. Huang, and Y.Y. Wu Linker effect in organic donor-acceptor dyes for p-type NiO dye sensitized solar cells Energy Environ Sci 4 2011 2818 2821
14. J. Preat, A. Hagfeldt, and E. Perpète Investigation of the photoinduced electron injection processes for p-type triphenylamine-sensitized solar cells Energy Environ Sci 4 2011 4537 4549
15. A. Okabe, T. Fukushima, K. Ariga, and T. Aida Color-tunable transparent mesoporous silica films: immobilization of one-dimensional columnar charge-transfer assemblies in aligned silicate nanochannels Angew Chem Int Ed 41 2002 3414 3417 (Pubitemid 35230642)
16. 5 J Am Chem Soc 124 2002 4 5 (Pubitemid 34037534)
17. W.U. Huynh, J.J. Dittmer, and A.P. Alivisatos Hybrid nanorod-polymer solar cells Science 295 2002 2425 2427 (Pubitemid 34270250)
18. B. Sun, E. Marx, and N.C. Greenham Photovoltaic devices using blends of branched CdSe nanoparticles and conjugated polymers Nano Lett 3 2003 961 963 (Pubitemid 37161880)
19. P. Gouzerh, and A. Proust Main-group element, organic, and organometallic derivatives of olyoxometalates Chem Rev 98 1998 77 112
20. M. Sadakane, and E. Steckhan Electrochemical properties of polyoxometalates as electrocatalysts Chem Rev 98 1998 219 238
21. +) ion pairs J Am Chem Soc 123 2001 5292 5307 (Pubitemid 32916051)
22. 2- J Am Chem Soc 122 2000 639 649 (Pubitemid 30090501)
23. 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
24. J. Wang, H. Li, N.N. Ma, L.K. Yan, and Z.M. Su Theoretical studies on organoimido-substituted hexamolybdates dyes for dye-sensitized solar cells (DSSC) Dyes Pigm 99 2013 440 446
25. L. Meng, B. Xie, J.H. Kang, T. 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 402 405
26. B. Xu, M. Lu, J. Kang, D. 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)
27. S. Chakraborty, A. Keightley, V. Dusevich, Y. Wang, and Z.H. Peng Synthesis and optical properties of a rod-coil diblock copolymer with polyoxometalate clusters covalently attached to the coil block Chem Mater 22 2010 3995 4006
28. 2- derivatives: promising building blocks for conducting molecular materials Chem Eur J 16 2010 8390 8399
29. C. Sousa, S. Tosoni, and F. Illas Theoretical approaches to excited-state-related phenomena in oxide surfaces Chem Rev 113 2013 4456 4495
30. J. Jeon, W.A. Goddard, and H. Kim Inner-sphere electron-transfer single iodide mechanism for dye regeneration in dye-sensitized solar cells J Am Chem Soc 135 2013 2431 2434
31. J. Zhang, Y.H. Kan, H.B. Li, Y. Geng, Y. Wu, and Z.M. Su How to design properp-spacer order of the D-π-A dyes for DSSCs? A density functional response Dyes Pigm 95 2012 313 321
32. N. Martsinovich, and A. Troisi Theoretical studies of dye-sensitised solar cells: from electronic structure to elementary processes Energy Environ Sci 4 2011 4473 4495
33. M. Pastore, S. Fantacci, and F. De Angelis Ab initio determination of ground and excited state oxidation potentials of organic chromophores for dye-sensitized solar cells J Phys Chem C 114 2010 22742 22750
34. F. Odobel, L. Pleux, Y. Pellegrin, and E. Blart New photovoltaic devices based on the sensitization of p-type semiconductors: challenges and opportunities Acc Chem Res 43 2010 1063 1071
35. G. te Velde, F.M. Bickelhaupt, S.J.A. van Gisbergen, G.C. Fonseca, E.J. Baerends, and J.G. Snijders Chemistry with ADF J Comput Chem 22 2001 931 967 (Pubitemid 32455733)
36. G.C. Fonseca, J.G. Snijders, G. te Velde, and E.J. Baerends Towards an order-N DFT method Theor Chem Acc 99 1998 391 403
37. ADF 2009.01, SCM, theoretical chemistry: Vrije Universiteit. Amsterdam, The Netherlands.
38. S.H. Vosko, L. Wilk, and M. Nusair Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis Can J Phys 58 1980 1200 1211
39. A.D. Becke Density-functional exchange-energy approximation with correct asymptotic behavior Phys Rev A 38 1988 3098 3100
40. J.P. Perdew Density-functional approximation for the correlation energy of the inhomogeneous electron gas Phys Rev B 33 1986 8822 8824
41. C.C. Pye, and T. Ziegler An implementation of the conductor like screening model (COSMO) of solvation within the Amsterdam density functional (ADF) package Theor Chem Acc 101 1999 396 408
42. P.R.T. Schipper, O.V.S. Gritsenko, 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 1356
43. J. Bandara, and H. Weerasinghe Employing NiO as a hole collector in solid-state dye-sensitized solar cell J Phys 5 2004 11 16