JURNAL KIMIA SAINTEK DAN PENDIDIKAN
Vol. 5 No. 2 (2021): JURNAL KIMIA SAINTEK DAN PENDIDIKAN

MODIFIKASI STRUKTUR ZAT WARNA KUINOLIN UNTUK MENINGKATKAN KINERJA SEL SURYA MENGGUNAKAN METODE DFT

Elvira Deswita (Program Studi Kimia, Universitas Andalas)
Imelda Imelda (Program Studi Kimia, Universitas Andalas)
Rifky Farhan (Program Studi Kimia, Universitas Andalas)
Oesamah Oesamah (Program Studi Kimia, Universitas Andalas)



Article Info

Publish Date
23 Dec 2021

Abstract

In this study, Quinoline-based D-H-A organic dye was used which consisted of 4 dyes with various donor chains of aniline (Q1), indoline (Q2), phenol (Q3) and coumarin (Q4). The calculation method used is the DFT/TD-DFT (Density Functional Theory/Time Dependent-DFT) method with a B3LYP / 6-31G basis set. The aim of this study was to determine the modification of the quinoline-based D-H-A dye with variations of the donor chains are efficient as a sensitizer on DSSC. Analysis based on the parameters of the bandgap, wavelength absorption, excitation energy, G-inject, G-reg, oscillator strength, dihedral angle, bond length, dipole moment, LHE and Voc. The result of the study show O2 with the name 6-(indolin-5-yl) quinoline-2-carboxylic acid is the best dye with a bandgap is 2,6204 eV, absorption wavelength is 566,80 nm, excitation energy is 2,1875 eV, G-inject is -3,114 eV, G-reg 0,1239 eV. Therefore, it can be concluded that the modification of quinoline dye to D-H-A type can improve the performance of DSSC.

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Journal Info

Abbrev

KIMIA

Publisher

Subject

Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Materials Science & Nanotechnology

Description

Focus on results study and literature review in the scope of chemistry education and chemistry sciences in the world. Scope: Chemistry Education Analytical chemistry, including new techniques and instrumentation Biochemistry and medicinal chemistry Inorganic chemistry, including main group, ...