COMPUTATIONAL STUDY OF CHAMPION DYES ON DSSC

• Main Author: (NIM : 10509090) ; Pembimbing Dr. M. Abdulkadir Martoprawiro, DEVIYANTI
• Format: Final Project
• Language: Indonesia
• Online Access: https://digilib.itb.ac.id/gdl/view/18287
• Institution: Institut Teknologi Bandung

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 /> <br /> <br /> <br /> <br /> <br /> <br /> experimental tools are calculated in ab initio method. Beside, this study also presenting <br /> <br /> <br /> <br /> <br /> <br /> <br /> calculation work from other metal, Fe(II). Optimation dyemolecules using DFT theory with <br /> <br /> <br /> <br /> <br /> <br /> <br /> B3LYP level of method. 6-31 g* are used for all of atoms, except for metal, which use 3- <br /> <br /> <br /> <br /> <br /> <br /> <br /> 21g. With this project, HOMO-LUMO of both groups of complexes are determined. From <br /> <br /> <br /> <br /> <br /> <br /> <br /> HOMO-LUMO to overall effeciency cells are main topic of this project. The differences of <br /> <br /> <br /> <br /> <br /> <br /> <br /> HOMO-LUMO energies for Fe(II) complexes are and for Ru(II) complexes are ,045-0,0919 <br /> <br /> <br /> <br /> <br /> <br /> <br /> Hartree and for Ru(II) are 0,110-0,155 Hartree (1 Hatree = 27,72 J).