COMPUTATIONAL STUDY OF CHAMPION DYES ON DSSC
DSSC is one of powerful photoconversion device which its work based on photon absorption <br /> <br /> <br /> <br /> <br /> <br /> <br /> from the sun. On this study, dyes which widely used either in fabrication industry or <br /> <b...
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| Format: | Final Project |
| Language: | Indonesia |
| Online Access: | https://digilib.itb.ac.id/gdl/view/18287 |
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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 <br />
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from the sun. On this study, dyes which widely used either in fabrication industry or <br />
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experimental tools are calculated in ab initio method. Beside, this study also presenting <br />
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calculation work from other metal, Fe(II). Optimation dyemolecules using DFT theory with <br />
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B3LYP level of method. 6-31 g* are used for all of atoms, except for metal, which use 3- <br />
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21g. With this project, HOMO-LUMO of both groups of complexes are determined. From <br />
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HOMO-LUMO to overall effeciency cells are main topic of this project. The differences of <br />
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HOMO-LUMO energies for Fe(II) complexes are and for Ru(II) complexes are ,045-0,0919 <br />
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Hartree and for Ru(II) are 0,110-0,155 Hartree (1 Hatree = 27,72 J). |
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