Stilbene Based Organic Dye as Efficient Sensitizer for NLO and Dye-Sensitized Solar Cells: A First Principle Study
| Autor: | Ponnusamy Munusamy Anbarasan, M. Prakasam |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
010302 applied physics
Materials science business.industry Photovoltaic system 02 engineering and technology Electronic structure Electrolyte 021001 nanoscience & nanotechnology Photochemistry 01 natural sciences Dye-sensitized solar cell Semiconductor 0103 physical sciences Density functional theory 0210 nano-technology business Current density HOMO/LUMO |
| Zdroj: | Materials Today: Proceedings. 9:156-163 |
| ISSN: | 2214-7853 |
| Popis: | In this study, we have designed five different Stilbene based dyes as efficient sensitizers for Nonlinear Optical Properties (NLO) and Dye-Sensitized Solar Cells (DSSCs). Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) have used to investigate molecular properties, in order to influence and performance of the dye sensitizer in the DSSCs. The theoretical result indicates that the HOMO and LUMO energy levels of this dye can be ensured a positive effect on the process of photoelectron injection into semiconductor surface and dye regeneration by the electrolyte. The solar energy conversion efficiency, effective key parameters in influence with the Short-Circuit Current Density (JSC), Light Harvesting Efficiency (LHE) and Electron injection driving force (ΔGinject) were discussed. The Stilbene-based dyes can be used as a potential sensitizer for photoelectron injection into the semiconductor surface due to its best electronic structure and optical properties of the good photovoltaic parameters. |
| Databáze: | OpenAIRE |
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