Article Per Year (5 Year)
p-Index From 2021 - 2026
0
P-Index
This Author published in this journals
All Journal Jurnal Kimia Mulawarman
Muhamad Abdulkadir Martoprawiro
Jurusan kimia FMIPA Institut Telnologi Bandung
Chemistry

Published : 1 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 1 Documents
Search

 1 
Perhitungan komputasi potensi Lawsone dan turunannya sebagai material aktif pada sel surya tersensitisasi zat warna Mirella Fonda Maahury; Muhamad Abdulkadir Martoprawiro
JURNAL KIMIA MULAWARMAN Vol 17 No 1 (2019)
Publisher : Jurusan Kimia Fakultas Matematika dan Ilmu Pengetahuan Alam Universitas Mulawarman

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30872/jkm.v17i1.846

Abstract

Lawsone is a dye which found in henna plant. Computational calculations have been done for the lawsone and its derivatives. This computational calculation aims to obtain a stable optimized structure and electronic properties to predict potency of lawsone as a photosensitizer in dye sensitizer solar cell. Computational calculation were using DFT for geometry optimization ground state and TDDFT for single point calculation excitation state. Both state for calculation using B3LYP functional and 6-311G(d,p) as basis set. The calculation in gas phase. Geometry optimization obtain lawsone structure is planar. The present of functional methoxy and hydroxy causing decresing and increasing of bond length. Based on electronic properties, such as excitation energy, maximum absorption wavelength and percentage excitation, L0 has better potential as active material in dye sensitized solar cell.
Co-Authors Maahury, Mirella Fonda