Calculation of The Optical Absorbance Properties of Rivina Humilis Molecules as Active Material in Dye Sensitized Solar Cell using Density Functional Theory Sisi Aqshowati1, Pina Pitriana2* and Hasniah Aliah1
1Physics Department, Faculty of Science and Technology, UIN Sunan Gunung Djati Bandung, Jl. A. H. Nasution 105, Bandung, Indonesia.
2Physics Education Program Study, Faculty of Tarbiyah and Teacher Training, UIN Sunan Gunung Djati Bandung, Jl. A. H. Nasution 105, Bandung, Indonesia.
Abstract
Dye Sensitized Solar Cell (DSSC) is a device that converts light energy into electrical energy. The electronic structure of dye can be determined by computational methods through Density Functional Theory (DFT). In the concept, DFT replaces the electrons system into one electron with the electron density. In this study, the molecule being tested was the Rivina humilis molecule which has a batalain dye. The calculations were carried out using the Quantum ESPRESSO software accessed through kogence.com, by performing two variations of the calculation parameters, namely the cut-off and k-point energy using GGA-PBE pseudopotentials. From the results of the calculation optimization on the molecule, the total energy value is -12381.58eV. The absorbance obtained was 2.134 with a wavelength of 400 nm.
Keywords: DSSC, Density Functional Theory, Absorbancce, Rivina Humilis,Quantum ESPRESSO
