Tuning the energy levels of ZnO/ZnS core/shell nanowires to design an efficient nanowire-based dye-sensitized solar cell

Journal of Physical Chemistry C

Volumn 117, Issue 31, 2013, Pages 15890-15900

  Saha, Supriya ^a   Sarkar, Sunandan ^a   Pal, Sougata ^b   Sarkar, Pranab ^a  

^a VISVA BHARATI UNIVERSITY   (India)

^b UNIVERSITY OF GOUR BANGA   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE RECOMBINATIONS; CONDUCTION-BAND MINIMUM; DENSITY FUNCTIONAL TIGHT BINDING METHOD; DYE-SENSITIZED SOLAR CELL; PHOTOVOLTAIC PERFORMANCE; SELF-CONSISTENT CHARGES; TYPE II BAND ALIGNMENTS; VALENCE-BAND MAXIMUMS;

ALIGNMENT; ELECTRONIC STRUCTURE; FUNCTIONAL GROUPS; KETONES; MOLECULES; SHELLS (STRUCTURES); SOLAR CELLS; ZINC SULFIDE;

NANOWIRES;

EID: 84881396875     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp402611j     Document Type: Article

References (61)

1. 2 films Nature 1991, 353, 737-740
2. Gratzel, M. Photoelectrochemical cells Nature 2001, 414, 338-344
3. Gratzel, M. Conversion of sunlight to electric power by nanocrystalline dye-sensitized solar cells J. Photochem. Photobiol., A 2004, 164, 3-14
4. Kamat, P. V. Quantum Dot Solar Cells. Semiconductor Nanocrystals as Light Harvesters J. Phys. Chem. C 2008, 112, 18737-18753
5. 2 solar cells with high photon-to-electron conversion efficiencies Nature 1998, 395, 583-585
6. Nazeeruddin, M. K.; Pechy, P.; Renouard, T.; Zakeeruddin, S. M.; Humphry-Baker, R.; Comte, P.; Liska, P.; Cevey, L.; Costa, E.; Shklover, V.; Spiccia, L.; Deacon, G. B.; Bignozzi, C. A.; Gratzel, M. Engineering of Efficient Panchromatic Sensitizers for Nanocrystalline TiO(2)-Based Solar Cells J. Am. Chem. Soc. 2001, 123, 1613-24
7. Hardin, B. E.; Hoke, E. T.; Armstrong, P. B.; Yum, J. H.; Comte, P.; Torres, T.; Frechet, J. M. J.; Nazeeruddin, M. K.; Gratzel, M.; McGehee, M. Increased light harvesting in dye-sensitized solar cells with energy relay dyes Nat. Photonics 2009, 3, 406-411
8. Keis, K.; Bauer, C.; Boschloo, G.; Hagfeldt, A.; Westermark, K.; Rensmo, H.; Siegbahn, H. Nanostructured ZnO electrodes for dye-sensitized solar cell applications J. Photochem. Photobiol., A 2002, 148, 57-64
9. Mende, L. S.; Bach, U.; Baker, R. H.; Horiuchi, T.; Miura, H.; Ito, S.; Uchida, S.; Grätzel, M. Organic Dye for Highly Efficient Solid-State Dye-Sensitized Solar Cells Adv. Mater. 2005, 17, 813-815
10. Anta, J. A.; Guillén, E.; Zaera, R. T. ZnO-Based Dye-Sensitized Solar Cells J. Phys. Chem. C 2012, 116, 11413-11425
11. Zhang, Q.; Dandeneau, C. S.; Zhou, X.; Cao, G. ZnO Nanostructures for Dye-Sensitized Solar Cells Adv. Mater. 2009, 21, 4087-4108
12. Liu, L.; Chen, Y.; Guo, T.; Zhu, Y.; Su, Y.; Jia, C.; Wei, M.; Cheng, Y. Chemical Conversion Synthesis of ZnS Shell on ZnO Nanowire Arrays: Morphology Evolution and Its Effect on Dye-Sensitized Solar Cell ACS Appl. Mater. Interfaces 2012, 4, 17-23
13. Chung, J.; Myoung, J.; Oh, J.; Lim, S. Synthesis of a ZnS Shell on the ZnO Nanowire and Its Effect on the Nanowire-Based Dye-Sensitized Solar Cells J. Phys. Chem. C 2010, 114, 21360-21365
14. Lu, M. Y.; Song, J.; Lu, M. P.; Lee, C. Y.; Chen, L. J.; Wang, Z. L. ZnO-ZnS Heterojunction and ZnS Nanowire Arrays for Electricity Generation ACS Nano 2009, 3 (2) 357-362
15. Wang, K.; Chen, J. J.; Zeng, Z. M.; Tarr, J.; Zhou, W. L.; Zhang, Y.; Yan, Y. F.; Jiang, C. S.; Pern, J.; Mascarenhas, A. Synthesis and photovoltaic effect of vertically aligned ZnO/ZnS core/shell nanowire arrays Appl. Phys. Lett. 2010, 96, 123105-3
16. Yu, X. L.; Song, J. G.; Fu, Y. S.; Xie, Y.; Song, X.; Sun, J.; Du, X. W. ZnS/ZnO Heteronanostructure as Photoanode to Enhance the Conversion Efficiency of Dye-Sensitized Solar Cells J. Phys. Chem. C 2010, 114, 2380-2384
17. Ku, C.-H.; Wu, J.-J. Electron transport properties in ZnO nanowire array/nanoparticle composite dye-sensitized solar cells Appl. Phys. Lett. 2007, 9, 093117-3
18. Law, M.; Greene, L. E.; Johnson, J. C.; Saykally, R.; Yang, P. Nanowire dye-sensitized solar cells Nat. Mater. 2005, 4, 455-459
19. 2 Core-Shell Nanowire Dye-Sensitized Solar Cells J. Phys. Chem. B 2006, 110, 22652-22663
20. 2 Nanorod Film J. Phys. Chem. B 2006, 110, 2087-2092
21. Ahmad, M.; Yan, X.; Zhu, J. Controlled Synthesis, Structural Evolution, and Photoluminescence Properties of Nanoscale One-Dimensional Hierarchical ZnO/ZnS Heterostructures J. Phys. Chem. C 2011, 115, 1831-1837
22. 2 Architecture J. Am. Chem. Soc. 2008, 130, 4007-4015
23. Buhbut, S.; Itzhakov, S.; Tauber, E.; Shalom, M.; Hod, I.; Geiger, Th.; Garini, Y.; Oron, D.; Zaban, A. Built-in Quantum Dot Antennas in Dye-Sensitized Solar Cells ACS Nano 2010, 4, 1293-1298
24. Zhang, Y.; Wang, I. W.; Mascarenhas, A. "Quantum Coaxial Cables" for Solar Energy Harvesting Nano Lett. 2007, 7, 1264-1269
25. Meng, X. Q.; Peng, H.; Gai, Y. Q.; Li, J. Influence of ZnS and MgO Shell on the Photoluminescence Properties of ZnO Core/Shell Nanowires J. Phys. Chem. C 2010, 114, 1467-1471
26. 2 Dye-Sensitized Solar Cells J. Phys. Chem. C 2007, 111, 18804-18811
27. Song, J.; Lim, S. Effect of Seed Layer on the Growth of ZnO Nanorods J. Phys. Chem. C 2007, 111, 596-600
28. Wang, Z. L. Nanostructures of zinc oxide Mater. Today 2004, 7, 26-33
29. Wang, X.; Song, J.; Wang, Z. L. Nanowire and nanobelt arrays of zinc oxide from synthesis to properties and to novel devices J. Mater. Chem. 2007, 17, 711-720
30. Milliron, D. J.; Hughes, S. M.; Cui, Y.; Manna, L.; Li, J. B.; Wang, L. W.; Alivisatos, A. P. Colloidal nanocrystal heterostructures with linear and branched topology Nature 2004, 430, 190-5
31. Fan, H. J.; Werner, P.; Zacharias, M. Semiconductor Nanowires: From Self-Organization to Patterned Growth Small 2006, 2, 700-717
32. Galoppini, E.; Rochford, J.; Chen, H.; Saraf, G.; Lu, Y.; Hagfeldt, A.; Boschloo, G. Fast Electron Transport in Metal Organic Vapor Deposition Grown Dye-sensitized ZnO Nanorod Solar Cells J. Phys. Chem. B 2006, 110, 16159-16161
33. Sagawa, T.; Yoshikawa, S.; Imahori, H. One-Dimensional Nanostructured Semiconducting Materials for Organic Photovoltaics J. Phys. Chem. Lett. 2010, 1, 1020-1025
34. 2 Films: Transient Photocurrent and Random-Walk Modeling Studies J. Phys. Chem. B 2001, 105, 11194-11205
35. 2 Solar Cells J. Phys. Chem. B 2005, 109, 12093-12098
36. 2 Solar Cells: A Study by Intensity Modulated Photovoltage Spectroscopy J. Phys. Chem. B 1997, 101, 8141-8155
37. Valls, I. G.; Cantu, M. L. Energy Environ. Sci. 2009, 2, 19
38. Thavasi, V.; Renugopalakrishnan, V.; Jose, R.; Ramkrishna, S. Controlled electron injection and transport at materials interfaces in dye sensitized solar cells Mater. Sci. Eng., B 2009, 63, 81-99
39. Gonzalez-Valls, I.; Lira-Cantu, M. Vertically-aligned nanostructures of ZnO for excitonic solar cells: a review Energy Environ. Sci. 2009, 2, 19-34
40. Goebl, J. A.; Black, R. W.; Puthussery, J.; Giblin, J.; Kosel, T. H.; Kuno, M. Solution-Based II-VI Core/Shell Nanowire Heterostructures J. Am. Chem. Soc. 2008, 130, 14822-14833
41. Listorti, A.; O'Regan, B.; Durrant, J. R. Electron Transfer Dynamics in Dye-Sensitized Solar Cells Chem. Mater. 2011, 23, 3381-3399
42. Hao, Y.; pei, J.; Wei, Y.; Cao, Y.; Jiao, S.; Zhu, F.; Li, J.; Xu, D. Efficient Semiconductor-Sensitized Solar Cells Based on Poly(3-hexylthiophene) @CdSe@ZnO Core-Shell Nanorod Arrays J. Phys. Chem. C 2010, 114, 8622-8625
43. Schrier, J.; Demchenko, D. O.; Wang, L. W.; Alivisatos, A. P. Optical Properties of ZnO/ZnS and ZnO/ZnTe Heterostructures for Photovoltaic Applications Nano Lett. 2007, 7, 2377-2382
44. Thuong, N. T.; Minh, N. V.; Tuan, N. N.; Tuoc, V. N. Density Functional Based Tight Binding Study on Wurzite Core-Shell Nanowires Heterostructures ZnO/ZnS Proc. Natl. Conf. Theor. Phys. 2010, 35, 92-100
45. Zhu, H.; Song, N.; Lian, T. Controlling Charge Separation and Recombination Rates in CdSe/ZnS Type I Core-Shell Quantum Dots by Shell Thicknesses J. Am. Chem. Soc. 2010, 132, 15038-15045
46. Porezag, D.; Frauenheim, Th.; Köhler, Th.; Seifert, G.; Kaschner, R. Construction of tight-binding-like potentials on the basis of density-functional theory: Application to carbon Phys. Rev. B 1995, 51, 12947-12957
47. Seifert, G.; Porezag, D.; Fraunheim, Th. Calculations of molecules, clusters, and solids with a simplified LCAO-DFT-LDA scheme Int. J. Quantum Chem. 1996, 58, 185-192
48. Niehaus, Th.; Suhai, S.; DellaSala, F.; Lugli, P.; Elstner, M.; Seifert, G.; Frauenheim, Th. Tight-binding approach to time-dependent density-functional response theory Phys. Rev. B 2001, 63, 085108-9
49. Seifert, G. Tight-Binding Density Functional Theory: An Approximate Kohn-Sham DFT Scheme J. Phys. Chem. A 2007, 111, 5609-5613
50. Elstner, M.; Porezag, D.; Jungnickel, G.; Elsner, J.; Haugk, M.; Fraunheim, Th.; Suhai, S.; Seifert, G. Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties Phys. Rev. B 1998, 58, 7260-7268
51. Dolgonos, G.; Aradi, B.; Moreira, N. H.; Frauenheim, Th. An Improved Self-Consistent-Charge Density-Functional Tight-Binding (SCC-DFTB) Set of Parameters for Simulation of Bulk and Molecular Systems Involving Titanium J. Chem. Theory Comput. 2010, 6, 266-278
52. Perdew, J. P.; Burke, K.; Ernzerhof, M. Generalized Gradient Approximation Made Simple Phys. Rev. Lett. 1996, 77, 3865-3868
53. Saha, S.; Pal, S.; Sarkar, P.; Rosa, A. L.; Frauenheim, Th A complete set of self-consistent charge density-functional tight-binding parametrization of zinc chalcogenides (ZnX; X=O, S, Se, and Te) J. Comput. Chem. 2012, 33, 1165-1178
54. Yang, S.; Prendergast, D.; Neaton, J. B. Strain-Induced Band Gap Modification in Coherent Core/Shell Nanostructures Nano Lett. 2010, 10, 3156-3162
55. Negre, C. F. A.; Fuertes, V. C.; Oviedo, M. B.; Oliva, F. Y.; Sánchez, C. G. Quantum Dynamics of Light-Induced Charge Injection in a Model Dye-Nanoparticle Complex J. Phys. Chem. C 2012, 116, 14748-14753
56. Bisquert, J.; Santiago, F. F.; Seró, I. M.; Belmonte, G. G.; Giménez, S. Electron Lifetime in Dye-Sensitized Solar Cells: Theory and Interpretation of Measurements J. Phys. Chem. C 2009, 113, 17278-17290
57. Wu, J. J.; Chen, G. R.; Yang, H. H.; Ku, C. H.; Lai, J. Y. Effects of dye adsorption on the electron transport properties in ZnO-nanowire dye-sensitized solar cells App. Phys. Lett. 2007, 90, 213109-3
58. Barea, E. M.; Shalom, M.; Giménez, S.; Hod, I.; M. Seró, I.; Zaban, A.; Bisquert, J. Design of Injection and Recombination in Quantum Dot Sensitized Solar Cells J. Am. Chem. Soc. 2010, 132, 6834-6839
59. Calzolari, A.; Ruini, A.; Catellani, A. Anchor Group versus Conjugation: Toward the Gap-State Engineering of Functionalized ZnO(101̄0) Surface for Optoelectronic Application J. Am. Chem. Soc. 2011, 133, 5893-5899
60. Lo, S. S.; Mirkovic, T.; Chuang, C.-H.; Burda, C.; Scholes, G. D. Emergent Properties Resulting from Type-II band Alignment in Semiconductor Nanoheterostructures Adv. Mater. 2011, 23, 180-197
61. Marcus, R. A.; Sutin, N. Electron Transfers in Chemistry and Biology Biochem. Biophys. Acta 1985, 811, 265-322