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

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

PDF kashif.pdf Download (2MB)

Abstract

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.

Actions (For repository members only: login required)

View Item