An experimental and DFT study on novel dyes incorporated with natural dyes on titanium dioxide (TiO 2 ) towards solar ce
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An experimental and DFT study on novel dyes incorporated with natural dyes on titanium dioxide (TiO2) towards solar cell application Muhammad Kashif1 · Zainab Ngaini2 · Angelina Viviana Harry3 · Rohit L. Vekariya4,5 · Awais Ahmad6 · Zhiqiang Zuo1 · Siti Kudnie Sahari7 · Shahid Hussain8 · Zuhaib Ashfaq Khan9 · Abdullah Alarifi10 Received: 12 June 2020 / Accepted: 7 August 2020 © Springer-Verlag GmbH Germany, part of Springer Nature 2020
Abstract 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 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, 1H NMR, 13C 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. Graphic abstract
Keywords Azo derivatives · KAZO 6 · Turmeric · Spectroscopic · Optical · Electrical · DSSC Electronic supplementary material The online version of this article (https://doi.org/10.1007/s00339-020-03896-6) contains supplementary material, which is available to authorized users. Extended author information available on the last page of the article
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1 Introduction Solar cell has gained wide attention as the most promising alternative resource of energy [1]. The energy conversion is based on a similar process as in photosynthesis [2]. Dyesensitized solar cell (DSSC) is the third generation solar cell employing either natural or artificial dye as light harvest pigment [3]. Absorption of photons by the sensitizer in the cell has induced excitation of an electron to the broad band-gap semiconductor, dyes and electrolyte [4]. Titanium (IV) oxide (TiO2) is commonly reported due to its long term thermal and photo-stability [4–8]. DSSC has attracted greater attention than traditional silicon-based solar cells. DSSC offers a lower cost of manufacturing, flexibility in shape, availability of dye resources and improved performance under diffuse light [4, 9]. Ru (II) polypyridyl complex is one of the most effective dyes reported as DSSC [10]. The ruthenium complexes, however, are not preferably developed as DSSC due to
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