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DSSC is one of powerful photoconversion device which its work based on photon absorption from the sun. On this study, dyes which widely used either in fabrication industry or experimental tools are calculated in ab initio method. Beside, this study also presenting calculation work from other metal,...
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| Format: | Final Project |
| Language: | Indonesia |
| Online Access: | https://digilib.itb.ac.id/gdl/view/21682 |
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| Institution: | Institut Teknologi Bandung |
| Language: | Indonesia |
| Summary: | DSSC is one of powerful photoconversion device which its work based on photon absorption from the sun. On this study, dyes which widely used either in fabrication industry or experimental tools are calculated in ab initio method. Beside, this study also presenting calculation work from other metal, Fe(II). Optimation dyemolecules using DFT theory with B3LYP level of method. 6-31 g* are used for all of atoms, except for metal, which use 3- 21g. With this project, HOMO-LUMO of both groups of complexes are determined. From HOMO-LUMO to overall effeciency cells are main topic of this project. The differences of HOMO-LUMO energies for Fe(II) complexes are and for Ru(II) complexes are ,045-0,0919 Hartree and for Ru(II) are 0,110-0,155 Hartree (1 Hatree = 27,72 J). |
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