STUDI KOMPUTASI SIFAT FOTOELEKTRIK TERNATIN TERMODIFIKASI GUGUS ASAM SIANO ASETAT DAN ASAM RODANIN ASETAT SEBAGAI DYE PADA DYE-SENSITIZED SOLAR CELL (DSSC)

Arif Rizqillah, NIM.: 19106030049 (2023) STUDI KOMPUTASI SIFAT FOTOELEKTRIK TERNATIN TERMODIFIKASI GUGUS ASAM SIANO ASETAT DAN ASAM RODANIN ASETAT SEBAGAI DYE PADA DYE-SENSITIZED SOLAR CELL (DSSC). Skripsi thesis, UIN SUNAN KALIJAGA YOGYAKARTA.

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Abstract

Computational research on the addition of electron acceptor groups of cyanoacetic acid and rhodanin acetate acid to ternatine compounds as dyes in Dye-Sensitized Solar Cells (DSSC) has been carried out. The electron acceptor groups of cyanoacetic acid and rhodamine acetate acid are placed on the hydroxy groups of ternatine O1 and O2 atoms (TSA 1, TSA 2, TRA 1, and TRA 2). The parameters used in this study are HOMO-LUMO energy, electron density, UV-Vis absorption, |VRP|, ∆Ginject, LHE, and τ. The method used in this study is the DFT-B3LYP method to calculate the ground state and the TDDFT-B3LYP method to calculate the excited state with a 6-311G* basis set. Ternatin, TSA 1, TSA 2, TRA 1, and TRA 2 have fulfilled the requirements as dyes for DSSC. The best compound in terms of all parameters (HOMO-LUMO, electron density, UV-Vis absorption, |VRP|, ∆Ginject, LHE, τ and FEDAM) is TRA2.

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