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DC Field | Value | Language |
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dc.contributor.author | Pavithra, Jayachandran | - |
dc.contributor.author | Abiram, Angamuthu | - |
dc.date.accessioned | 2023-11-27T09:32:09Z | - |
dc.date.available | 2023-11-27T09:32:09Z | - |
dc.date.issued | 2021-01-05 | - |
dc.identifier.uri | https://link.springer.com/article/10.1007/s13738-020-02129-0 | - |
dc.description.abstract | This contribution reports on the photosensitizing competence of Sn(IV)tetrakis(4-pyridyl)porphyrins (SnTP) for potential applications in dye sensitized solar cell (DSSC). The photosensitization of SnTPs is accounted on the basis of different axial ligands (OH−, Cl−, and H2O) and the pyridine protons. The qualitative information on the photovoltaic performance of the sensitizers is obtained at B3LYP/6-31+G(d) level of theory with LANL2DZ basis set for Sn atom through the calculation of parameters such as free energy change of electron injection ( ) and regeneration ( ), oxidation potentials, exciton binding energy, open-circuit voltage, light harvesting efficiency and quantum reactivity descriptors. The evaluation of solvent effects is carried out in Tetrahydrofuran (THF) and Dimethylformamide (DMF) solutions employing conductor-like polarizable continuum model (C-PCM). The overall results emphasize that the enhanced photo-sensing action can be achieved by the Sn complexes having OH− and Cl− ligands without pyridine protonation. | en_US |
dc.language.iso | en_US | en_US |
dc.publisher | Springer Link | en_US |
dc.title | DYE SENSITIZED SOLAR CELL ACTION OF SN(IV)TETRAKIS(4-PYRIDYL) PORPHYRINS AS A FUNCTION OF AXIAL LIGATION AND PYRIDINE PROTONATION | en_US |
dc.type | Article | en_US |
Appears in Collections: | 2.Article (56) |
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DYE SENSITIZED SOLAR CELL ACTION OF SN(IV)TETRAKIS(4-PYRIDYL) PORPHYRINS AS A FUNCTION OF AXIAL LIGATION AND PYRIDINE PROTONATION.docx | 162.28 kB | Microsoft Word XML | View/Open |
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