Cover Image

An experimental and DFT study on novel dyes incorporated with natural dyes on titanium dioxide (TiO2) towards solar cell application

Titanium dioxide (TiO2) thin films were deposited on fluorine tin oxide (FTO) coated glass substrate using spin-coating techniques and as-deposited films were sensitized with various dyes. A series of azo derivatives (2, 5a-b) having different structures were successfully prepared through the proce...

Full description

Saved in:
Bibliographic Details
Main Authors: Muhammad, Kashif, Zainab, Ngaini, Angelina Viviana, Harry, Vekariya, Rohit L., Awais, Ahmad, Zhiqiang, Zuo, Siti Kudnie, Sahari, Shahid, Hussain, Zuhaib, Ashfaq Khan, Abdullah, Alarifi
Format: Article
Language:English
Published: Springer-Verlag GmbH Germany 2020
Subjects:
Q Science (General)
QK Botany
Online Access:http://ir.unimas.my/id/eprint/31320/1/Zainab%20Ngaini.pdf
http://ir.unimas.my/id/eprint/31320/
https://link.springer.com/article/10.1007/s00339-020-03896-6
Tags: Add Tag
No Tags, Be the first to tag this record!
id my.unimas.ir.31320
record_format eprints
spelling my.unimas.ir.313202021-04-01T06:35:47Z http://ir.unimas.my/id/eprint/31320/ An experimental and DFT study on novel dyes incorporated with natural dyes on titanium dioxide (TiO2) towards solar cell application Muhammad, Kashif Zainab, Ngaini Angelina Viviana, Harry Vekariya, Rohit L. Awais, Ahmad Zhiqiang, Zuo Siti Kudnie, Sahari Shahid, Hussain Zuhaib, Ashfaq Khan Abdullah, Alarifi Q Science (General) QK Botany Titanium dioxide (TiO2) thin films were deposited on fluorine tin oxide (FTO) coated glass substrate using spin-coating techniques and as-deposited films were sensitized with various dyes. A series of azo derivatives (2, 5a-b) having different structures were successfully prepared through the process of the azo coupling reaction. KAZO 6 was successfully synthesized by esterification of kojic acid obtained from sago waste with azo 5a. These azo dye were examined using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) to obtain the vertical excitation, electron distribu-tion, energy levels, band gap, and light-harvesting efficiency in the ground and excited state. The obtained values exhibited a good correlation with the experimental values. Efficiency enhancement was reported by the incorporation of KAZO 6 with curcumin extracted from turmeric. Spectroscopy and optical properties of synthesized dyes were characterized using CHNS elemental analysis, FTIR, 1H NMR, 13C NMR, and UV–Vis spectros copies. KAZO 6 displayed an efficiency of 1.59% compared to azo derivatives 0.13–1.12%. The efficiency of KAZO 6 enhanced from 1.59 to 1.74% with the incorporation of turmeric dye. Springer-Verlag GmbH Germany 2020-08 Article PeerReviewed text en http://ir.unimas.my/id/eprint/31320/1/Zainab%20Ngaini.pdf Muhammad, Kashif and Zainab, Ngaini and Angelina Viviana, Harry and Vekariya, Rohit L. and Awais, Ahmad and Zhiqiang, Zuo and Siti Kudnie, Sahari and Shahid, Hussain and Zuhaib, Ashfaq Khan and Abdullah, Alarifi (2020) An experimental and DFT study on novel dyes incorporated with natural dyes on titanium dioxide (TiO2) towards solar cell application. Applied Physics A, 126 (716). pp. 1-13. ISSN 1432-0630 https://link.springer.com/article/10.1007/s00339-020-03896-6 DOI:org/10.1007/s00339-020-03896-6
institution Universiti Malaysia Sarawak
building Centre for Academic Information Services (CAIS)
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaysia Sarawak
content_source UNIMAS Institutional Repository
url_provider http://ir.unimas.my/
language English
topic Q Science (General)
QK Botany
spellingShingle Q Science (General)
QK Botany
Muhammad, Kashif
Zainab, Ngaini
Angelina Viviana, Harry
Vekariya, Rohit L.
Awais, Ahmad
Zhiqiang, Zuo
Siti Kudnie, Sahari
Shahid, Hussain
Zuhaib, Ashfaq Khan
Abdullah, Alarifi
An experimental and DFT study on novel dyes incorporated with natural dyes on titanium dioxide (TiO2) towards solar cell application
description Titanium dioxide (TiO2) thin films were deposited on fluorine tin oxide (FTO) coated glass substrate using spin-coating techniques and as-deposited films were sensitized with various dyes. A series of azo derivatives (2, 5a-b) having different structures were successfully prepared through the process of the azo coupling reaction. KAZO 6 was successfully synthesized by esterification of kojic acid obtained from sago waste with azo 5a. These azo dye were examined using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) to obtain the vertical excitation, electron distribu-tion, energy levels, band gap, and light-harvesting efficiency in the ground and excited state. The obtained values exhibited a good correlation with the experimental values. Efficiency enhancement was reported by the incorporation of KAZO 6 with curcumin extracted from turmeric. Spectroscopy and optical properties of synthesized dyes were characterized using CHNS elemental analysis, FTIR, 1H NMR, 13C NMR, and UV–Vis spectros copies. KAZO 6 displayed an efficiency of 1.59% compared to azo derivatives 0.13–1.12%. The efficiency of KAZO 6 enhanced from 1.59 to 1.74% with the incorporation of turmeric dye.
format Article
author Muhammad, Kashif
Zainab, Ngaini
Angelina Viviana, Harry
Vekariya, Rohit L.
Awais, Ahmad
Zhiqiang, Zuo
Siti Kudnie, Sahari
Shahid, Hussain
Zuhaib, Ashfaq Khan
Abdullah, Alarifi
author_facet Muhammad, Kashif
Zainab, Ngaini
Angelina Viviana, Harry
Vekariya, Rohit L.
Awais, Ahmad
Zhiqiang, Zuo
Siti Kudnie, Sahari
Shahid, Hussain
Zuhaib, Ashfaq Khan
Abdullah, Alarifi
author_sort Muhammad, Kashif
title An experimental and DFT study on novel dyes incorporated with natural dyes on titanium dioxide (TiO2) towards solar cell application
title_short An experimental and DFT study on novel dyes incorporated with natural dyes on titanium dioxide (TiO2) towards solar cell application
title_full An experimental and DFT study on novel dyes incorporated with natural dyes on titanium dioxide (TiO2) towards solar cell application
title_fullStr An experimental and DFT study on novel dyes incorporated with natural dyes on titanium dioxide (TiO2) towards solar cell application
title_full_unstemmed An experimental and DFT study on novel dyes incorporated with natural dyes on titanium dioxide (TiO2) towards solar cell application
title_sort experimental and dft study on novel dyes incorporated with natural dyes on titanium dioxide (tio2) towards solar cell application
publisher Springer-Verlag GmbH Germany
publishDate 2020
url http://ir.unimas.my/id/eprint/31320/1/Zainab%20Ngaini.pdf
http://ir.unimas.my/id/eprint/31320/
https://link.springer.com/article/10.1007/s00339-020-03896-6
_version_ 1696979519862210560
score 13.23648

Similar Items