Theoretical Study of Gallium Phthalocyanine Dimer-Fullerene Complex for Photovoltaic Device

Full-Text HTML Download Download as PDF (Size:411KB) PP. 966-969
DOI: 10.4236/jmp.2011.29116    4,170 Downloads   7,734 Views   Citations


Geometry and electronic structures of gallium phthalocyanine dimer and fullerene molecules were investigated by theoretical calculation. The highest occupied molecular orbital was localized on the donor site, and the lowest unoccupied molecular orbital were localized on accepter site. The present results indicate that high conversion efficiency would be expected when phthalocyanine dimers were used as solar cell materials.

Cite this paper

A. Takeda, T. Oku, A. Suzuki and Y. Yamasaki, "Theoretical Study of Gallium Phthalocyanine Dimer-Fullerene Complex for Photovoltaic Device," Journal of Modern Physics, Vol. 2 No. 9, 2011, pp. 966-969. doi: 10.4236/jmp.2011.29116.


[1] F. Yang, M. Shtein and S. R. Forrest, “Morphology Con-trol and Material Mixing by High-Temperature Organic Vapor-Phase Deposition and Its Application to Thin-Film Solar Cells,” Journal of Applied Physics, Vol. 98, No. 1, 2005, pp. 1-10. doi:10.1063/1.1941480
[2] J. Xue, S. Uchida, B. P. Rand and S. R. Forrest, “Asym-metric Tandem Organic Photovoltaic Cells with Hybrid Planar-Mixed Molecular Heterojunctions,” Applied Physics Letters, Vol. 85, No. 23, 2004, pp. 1-3. doi:10.1063/1.1829776
[3] N. Li, B. E. Lassiter, R. R. Lunt, G. Wei and S. R. Forrest, “Open Circuit Voltage Enhancement Due to Reduced Dark Current in Small Molecule Photovoltaic Cells,” Applied Physics Letters, Vol. 94, No. 2, 2009, pp. 1-3. doi:10.1063/1.3072807
[4] B. P. Rand, J. Xue, S. Uchida and S. R. Forrest, “Mixed Donor-Acceptor Molecular Heterojunctions for Photo-voltaic Applications. I. Material Properties,” Journal of Applied Physics, Vol. 98, No. 12, 2005, pp. 1-7. doi:10.1063/1.2142072
[5] Y. Yamasaki, K. Kuroda and K. Takaki, “Synthesis of New Polymorphs of Μ-Oxo-Metal(III) Phthalocyanine Dimmers and Their Photoconductive Properties,” Journal of the Chemical Society of Japan, Vol. 1997, No. 12, 1997, pp. 887-898.
[6] D. Li, Z. Peng, L. Deng, Y. Shen and Y. Zhou, “Theoret-ical Studies on Molecular Structure and Vibrational Spectra of Copper Phthalocyanine,” Vibrational Spec-troscopy, Vol. 39, No. 2, 2005, pp. 191-199. doi:10.1016/j.vibspec.2005.03.004
[7] W. Kohn and L. J. Sham, “Self-Consistent Equations Including Exchange and Correlation Effects,” Physical Review, Vol. 140, No. 4A, 1965, pp. 1133-1138. doi:10.1103/PhysRev.140.A1133
[8] A. Takeda, A. Minowa, T. Oku, A. Suzuki, K. Kikuchi and Y. Yamasaki, “Formation and Characterization of Phthalocyanine Dimer/C60 Solar Cells,” Progress in Nat-ural Science: Materials International, Vol. 21, No. 1, 2011, pp. 27-30.
[9] H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Fara-jian and Y. Kawazoe, “Theoretical Study of Phthalocya-nine-Fullerene Complex for a High Efficiency Photovoltaic Device Using Ab Initio Electronic Structure Calculation,” Synthetic Metals, Vol. 138, No. 1-2, 2003, pp. 281-283. doi:10.1016/S0379-6779(02)01289-4
[10] H. Mizuseki, N. Igarashi, R. V. Belosludov, A. A. Fara-jian and Y. Kawazoe, “Theoretical Study of Chlo-rin-Fullerene Supramolecular Complexes for Photovoltaic Devices,” Japanese Journal of Applied Physics, Vol. 42, No. 4B, 2003, pp. 2503-2505. doi:10.1143/JJAP.42.2503
[11] A. J. Hameed, “Theoretical Investigation of a Phthalo-cyanine-Fulleropyrrolidine Adduct and Some of Its Me-tallic Complexes,” Journal of Molecular Structure: THEOCHEM, Vo. 764, No. 1-3, 2006, pp. 195-199. doi:10.1016/j.theochem.2006.02.021
[12] M. C. Scharber, D. Mühlbacher, M. Koppe, P. Denk, C. Waldauf, A. J. Heeger and C. J. Brabec, “Design Rules for Donors in Bulk-Heterojunction Solar Cells—Towards 10% Energy-Conversion Efficiency,” Advanced Materials, Vol. 18, No. 6, 2006, pp. 789-794.
[13] R. Ulbricht, S. B. Lee, X. Jiang, K. Inoue, M. Zhang, S. Fang, R. H. Baughman and A. A. Zakhid, “Transparent Carbon Nanotube Sheets as 3-D Charge Collectors in Organic Solar Cells,” Solar Energy Materials and Solar Cells, Vol.. 91, No. 5-6, 2007, pp. 416-419. doi:10.1016/j.solmat.2006.10.002
[14] T. Oku, T. Noma, A. Suzuki, K. Kikuchi and S. Kikuchi, “Fabrication and Characterization of Fullerene/Porphyrin Bulk Heterojunction Solar Cells,” Journal of Physics and Chemistry of Solids, Vol. 71, No. 4, 2010, pp. 551-555. doi:10.1016/j.jpcs.2009.12.034

comments powered by Disqus

Copyright © 2017 by authors and Scientific Research Publishing Inc.

Creative Commons License

This work and the related PDF file are licensed under a Creative Commons Attribution 4.0 International License.