Perhitungan komputasi potensi Lawsone dan turunannya sebagai material aktif pada sel surya tersensitisasi zat warna
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.
Downloads
References
[2] Philip Jacob P, Madhumitha G, Mary Saral A. Free radical scavenging and reducing power of Lawsonia inermis L. seeds. (2011). Asian Pacific Journal of Tropical Medicine, 457-461.
[3] A. Torchani, S. Saadaoui, R. Gharbi, M. Fathallah. Sensitized solar cells based on natural dyes. (2015). Current Applied Physics, 15, 307-312.
[4] S. Ananth, P. Vivek, T. Arumanayagam, P. Murugakoothan. Natural dye extract of lawsonia inermis seed as photo sensitizer for titanium dioxide based dye sensitized solar cells. (2014). Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 128, 420–426.
[5] Han, M. W., Ekanayake, P., Ming, L.C., Yoong, V. N. DFT/TD-DFT Studies on the Lawsone (Henna) as a Photosensitizer for Dye- Sensitized Solar Cells. (2015). Applied Mechanics and Materials, 789-790, 56-60.
Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution License that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.
Authors are able to enter into separate, additional contractual arrangements for the non-exclusive distribution of the journal's published version of the work (e.g., post it to an institutional repository or publish it in a book), with an acknowledgement of its initial publication in this journal.
This license requires that reusers give credit to the creator. It allows reusers to distribute, remix, adapt, and build upon the material in any medium or format, even for commercial purposes. If others remix, adapt, or build upon the material, they must license the modified material under identical terms.
BY: Credit must be given to you, the creator.
SA: Adaptations must be shared under the same terms.
