AB INITIO STUDY OF ELECTRONIC STRUCTURE OF PORPHYRINS, CONDUCTIVE POLYMER POLYANILINES, AND PORPHYRIN/POLYANILINE COMPLEXES

• Main Author: (NIM: 20513068) ; Pembimbing Dr. Veinardi Suendo, Dr. Suprijadi, FAJRIAH
• Format: Theses
• Language: Indonesia
• Online Access: https://digilib.itb.ac.id/gdl/view/18446
• Institution: Institut Teknologi Bandung

Development of solar cell becomes one of research field which heavily conducted <br /> <br /> <br /> <br /> <br /> in order to find alternative electrical energy source for the future. Solar cell with <br /> <br /> <br /> <br /> <br /> organic dyes sensitizer, called dye-sensitized solar cell (DSSC), is relatively cheap <br /> <br /> <br /> <br /> <br /> because of its material abundance in nature. Chlorophyll, a bioorganic material <br /> <br /> <br /> <br /> <br /> which recorded for its highest energy conversion efficiency, and polyaniline, a <br /> <br /> <br /> <br /> <br /> conductives organic material, is seen to have potential application for DSSC <br /> <br /> <br /> <br /> <br /> active materials. Interactions between several free-base and metalloporphyrin (Mg <br /> <br /> <br /> <br /> <br /> and Zn) molecules and several polyaniline molecules (base and salt polyanilines) <br /> <br /> <br /> <br /> <br /> were studied from their electronic energy level by means ab initio with <br /> <br /> <br /> <br /> <br /> DFT/PBE0 method. There are two conditions in photoinduced electron transfer <br /> <br /> <br /> <br /> <br /> which give chance for electron to be transported from one molecule to another. <br /> <br /> <br /> <br /> <br /> While electron in sensitizer (porphyrin) was excited from HOMO to LUMO, it is <br /> <br /> <br /> <br /> <br /> hopping to lower-energy-LUMO of neighbour semiconductor (polyaniline) and <br /> <br /> <br /> <br /> <br /> leaves a hole.