An experimental and DFT study on novel dyes incorporated with natural dyes on titanium dioxide (TiO2) towards solar cell application
Titanium dioxide (TiO2) thin flms were deposited on fuorine tin oxide (FTO) coated glass substrate using spin-coating techniques and as-deposited flms were sensitized with various dyes. A series of azo derivatives (2, 5a-b) having diferent structures were successfully prepared through the process of...
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my.unimas.ir.313452021-03-30T04:13:37Z http://ir.unimas.my/id/eprint/31345/ An experimental and DFT study on novel dyes incorporated with natural dyes on titanium dioxide (TiO2) towards solar cell application Zainab, Ngaini Muhammad, Kashif Angelina Viviana, Harry Vekariya, Rohit L. Awais, Ahmad Zhiqiang, Zuo Siti Kudnie, Sahari Shahid, Hussain Zuhaib, Ashfaq Khan Abdullah, Alarifi Q Science (General) QD Chemistry Titanium dioxide (TiO2) thin flms were deposited on fuorine tin oxide (FTO) coated glass substrate using spin-coating techniques and as-deposited flms were sensitized with various dyes. A series of azo derivatives (2, 5a-b) having diferent structures were successfully prepared through the process of the azo coupling reaction. KAZO 6 was successfully synthesized by esterifcation 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 distribution, energy levels, band gap, and light-harvesting efciency in the ground and excited state. The obtained values exhibited a good correlation with the experimental values. Efciency 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, 1 H NMR, 13C NMR, and UV–Vis spectroscopies. KAZO 6 displayed an efciency of 1.59% compared to azo derivatives 0.13–1.12%. The efciency of KAZO 6 enhanced from 1.59 to 1.74% with the incorporation of turmeric dye. Springer Nature Switzerland AG 2020 Article PeerReviewed text en http://ir.unimas.my/id/eprint/31345/1/kashif.pdf Zainab, Ngaini and Muhammad, Kashif 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 : Materials Science & Processing, 216 (716). pp. 1-13. ISSN 1432-0630 https://www.springer.com/journal/339 DOI: 10.1007/s00339-020-03896-6 |
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Q Science (General) QD Chemistry Zainab, Ngaini Muhammad, Kashif 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 |
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Titanium dioxide (TiO2) thin flms were deposited on fuorine tin oxide (FTO) coated glass substrate using spin-coating techniques and as-deposited flms were sensitized with various dyes. A series of azo derivatives (2, 5a-b) having diferent structures were successfully prepared through the process of the azo coupling reaction. KAZO 6 was successfully synthesized
by esterifcation 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 distribution, energy levels, band gap, and light-harvesting efciency in the ground and excited state. The obtained values exhibited
a good correlation with the experimental values. Efciency 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, 1 H NMR, 13C NMR, and UV–Vis spectroscopies. KAZO 6 displayed an efciency of 1.59% compared to azo derivatives 0.13–1.12%. The efciency of KAZO 6 enhanced from 1.59 to 1.74% with the incorporation of turmeric dye. |
format |
Article |
author |
Zainab, Ngaini Muhammad, Kashif Angelina Viviana, Harry Vekariya, Rohit L. Awais, Ahmad Zhiqiang, Zuo Siti Kudnie, Sahari Shahid, Hussain Zuhaib, Ashfaq Khan Abdullah, Alarifi |
author_facet |
Zainab, Ngaini Muhammad, Kashif Angelina Viviana, Harry Vekariya, Rohit L. Awais, Ahmad Zhiqiang, Zuo Siti Kudnie, Sahari Shahid, Hussain Zuhaib, Ashfaq Khan Abdullah, Alarifi |
author_sort |
Zainab, Ngaini |
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 Nature Switzerland AG |
publishDate |
2020 |
url |
http://ir.unimas.my/id/eprint/31345/1/kashif.pdf http://ir.unimas.my/id/eprint/31345/ https://www.springer.com/journal/339 |
_version_ |
1696979520446267392 |
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13.160551 |