SYNTHESIS AND PROPERTIES COMPARISON OF MESO-ARYLPORPHYRINS METAL COMPLEXES AS POTENTIAL DYES FOR SOLAR CELLS
This work is dedicated to the synthesis of porphyrin metal complexes for creation of dyesensitized solar cells (DSSC). Three different dyes were synthesized - zinc complexes of porphyrins containing alkoxyl substituents: with symmetric structure (Zn-P1), as well as asymmetric (type A3B) with the int...
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| Format: | Article |
| Language: | Russian |
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MIREA - Russian Technological University
2018-04-01
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| Series: | Тонкие химические технологии |
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| Online Access: | https://www.finechem-mirea.ru/jour/article/view/138 |
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| author | A. V. Ezhov F. Yu. Vyalba K. A. Zhdanova A. F. Mironov K. Yu. Zhizhin N. A. Bragina |
| author_facet | A. V. Ezhov F. Yu. Vyalba K. A. Zhdanova A. F. Mironov K. Yu. Zhizhin N. A. Bragina |
| author_sort | A. V. Ezhov |
| collection | DOAJ |
| description | This work is dedicated to the synthesis of porphyrin metal complexes for creation of dyesensitized solar cells (DSSC). Three different dyes were synthesized - zinc complexes of porphyrins containing alkoxyl substituents: with symmetric structure (Zn-P1), as well as asymmetric (type A3B) with the introduction of a donor (Zn-P2) or an acceptor (Zn-P3) substituents via the 1,3,5-triazine fragment. The spectral characteristics of the synthesized substances are compared. For all the obtained dyes, geometry optimization and visualization of the electron density distribution were carried out using computational methods based on the density functional theory (DFT). The location of the frontier unbound molecular orbitals is more optimal when an acceptor substituent containing anchor groups is introduced via the triazine moiety. However, the use of ligands containing an anchor group simplifies the synthesis of the dye and opens up more possibilities for varying both the ligand and the introduced donor substituents. As a result, it was concluded that the spatial distribution of the dye, when applied to the electrode and, consequently, the number of its molecules per unit area of the semiconductor, can have the greatest effect on the efficiency of a cell using t he described compounds. |
| first_indexed | 2024-04-10T03:28:20Z |
| format | Article |
| id | doaj.art-20845435857048b8bcb5c7b4ee1d6bd0 |
| institution | Directory Open Access Journal |
| issn | 2410-6593 2686-7575 |
| language | Russian |
| last_indexed | 2025-03-14T10:39:55Z |
| publishDate | 2018-04-01 |
| publisher | MIREA - Russian Technological University |
| record_format | Article |
| series | Тонкие химические технологии |
| spelling | doaj.art-20845435857048b8bcb5c7b4ee1d6bd02025-03-02T10:57:35ZrusMIREA - Russian Technological UniversityТонкие химические технологии2410-65932686-75752018-04-01132213010.32362/2410-6593-2018-13-2-21-30138SYNTHESIS AND PROPERTIES COMPARISON OF MESO-ARYLPORPHYRINS METAL COMPLEXES AS POTENTIAL DYES FOR SOLAR CELLSA. V. Ezhov0F. Yu. Vyalba1K. A. Zhdanova2A. F. Mironov3K. Yu. Zhizhin4N. A. Bragina5Moscow Technological University (M.V. Lomonosov Institute of Fine Chemical Technologies)Moscow Technological University (M.V. Lomonosov Institute of Fine Chemical Technologies)Moscow Technological University (M.V. Lomonosov Institute of Fine Chemical Technologies)Moscow Technological University (M.V. Lomonosov Institute of Fine Chemical Technologies)Moscow Technological University (M.V. Lomonosov Institute of Fine Chemical Technologies); N.S. Kurnakov Institute of General and Inorganic ChemistryMoscow Technological University (M.V. Lomonosov Institute of Fine Chemical Technologies)This work is dedicated to the synthesis of porphyrin metal complexes for creation of dyesensitized solar cells (DSSC). Three different dyes were synthesized - zinc complexes of porphyrins containing alkoxyl substituents: with symmetric structure (Zn-P1), as well as asymmetric (type A3B) with the introduction of a donor (Zn-P2) or an acceptor (Zn-P3) substituents via the 1,3,5-triazine fragment. The spectral characteristics of the synthesized substances are compared. For all the obtained dyes, geometry optimization and visualization of the electron density distribution were carried out using computational methods based on the density functional theory (DFT). The location of the frontier unbound molecular orbitals is more optimal when an acceptor substituent containing anchor groups is introduced via the triazine moiety. However, the use of ligands containing an anchor group simplifies the synthesis of the dye and opens up more possibilities for varying both the ligand and the introduced donor substituents. As a result, it was concluded that the spatial distribution of the dye, when applied to the electrode and, consequently, the number of its molecules per unit area of the semiconductor, can have the greatest effect on the efficiency of a cell using t he described compounds.https://www.finechem-mirea.ru/jour/article/view/138synthesisporphyrinsmetal complexesdyesphotovoltaicsdensity functional theory (dft) |
| spellingShingle | A. V. Ezhov F. Yu. Vyalba K. A. Zhdanova A. F. Mironov K. Yu. Zhizhin N. A. Bragina SYNTHESIS AND PROPERTIES COMPARISON OF MESO-ARYLPORPHYRINS METAL COMPLEXES AS POTENTIAL DYES FOR SOLAR CELLS Тонкие химические технологии synthesis porphyrins metal complexes dyes photovoltaics density functional theory (dft) |
| title | SYNTHESIS AND PROPERTIES COMPARISON OF MESO-ARYLPORPHYRINS METAL COMPLEXES AS POTENTIAL DYES FOR SOLAR CELLS |
| title_full | SYNTHESIS AND PROPERTIES COMPARISON OF MESO-ARYLPORPHYRINS METAL COMPLEXES AS POTENTIAL DYES FOR SOLAR CELLS |
| title_fullStr | SYNTHESIS AND PROPERTIES COMPARISON OF MESO-ARYLPORPHYRINS METAL COMPLEXES AS POTENTIAL DYES FOR SOLAR CELLS |
| title_full_unstemmed | SYNTHESIS AND PROPERTIES COMPARISON OF MESO-ARYLPORPHYRINS METAL COMPLEXES AS POTENTIAL DYES FOR SOLAR CELLS |
| title_short | SYNTHESIS AND PROPERTIES COMPARISON OF MESO-ARYLPORPHYRINS METAL COMPLEXES AS POTENTIAL DYES FOR SOLAR CELLS |
| title_sort | synthesis and properties comparison of meso arylporphyrins metal complexes as potential dyes for solar cells |
| topic | synthesis porphyrins metal complexes dyes photovoltaics density functional theory (dft) |
| url | https://www.finechem-mirea.ru/jour/article/view/138 |
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