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

Abstract

Titanium dioxide (TiO 2) 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 distribution, 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, 1 H NMR, 13 C NMR, and UV-Vis spectroscopies. 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.

A Critical Review on the Synthesis of Natural Sodium Alginate Based Composite Materials: An Innovative Biological Polymer for Biomedical Delivery Applications

“…This novel polysaccharide has potential applications in all aspects of food, drug delivery [23], gene delivery, tissue engineering [24], and wound dressing [25][26][27] and for wastewater treatment [28]. Na-Alg has novel applications in the field of drug delivery; for instance, it has been used for the delivery of 5 FU [29], Cur [30], anticancer agents (microcapsules) [31], ibuprofen [32], and RIF.…”

Effects of Cr2O3 Content on Microstructure and Mechanical Properties of Al2O3 Matrix Composites

“…Nowadays, the COREX (smelting reduction) and HIsmelt processes, (direct smelting process) as new smelting reduction technologies, have been industrialized [4]. At present, the lining materials used in smelting reduction ironmaking reaction furnace mainly include Al2O3-C, MgO-C, MgO-Cr2O3, and Al2O3-Cr2O3 refractories [5][6][7][8]. Carbon-containing refractories have excellent slag resistance and thermal shock resistance, but they are easy to be oxidized.…”

Organic sensitization of graphene oxide and reduced graphene oxide thin films for photovoltaic applications

“…25,26 Depending upon unique electrochemical and photophysical properties, organic sensitizers are widely employed in PVs. [27][28][29] The diversity of organic sensitizers is groomed by different types of functional groups present like cyanide ( CN), carboxylic acid ( COOH), and azo N N groups, and so on. 30 Purposely, a novel organic sensitizer K-Azo is developed in this research by incorporation of kojic acid (5-hydroxy-2-[hydroxymethyl]-4H-pyran-4-one) and azo sensitizer.…”