Computational studies and experimental fabrication of DSSC device assembly on 2D-layered TiO2 and MoS2@TiO2 nanomaterials

Herein, we synthesized a novel two-dimensional nanostructure of pure TiO2 and heterostructure of citric acid and l-cysteine capped on MoS2@TiO2 by hydrothermal method. Prepared nanomaterials are characterised by the latest analytical methods and the obtained results are compared with the Density Fun...

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Bibliographic Details
Published in:Physica. B, Condensed matter Condensed matter, 2022-05, Vol.633, p.413770, Article 413770
Main Authors: Kumar, B. Arjun, Vetrivelan, V., Ramalingam, G., Manikandan, A., Viswanathan, S., Boomi, P., Ravi, G.
Format: Article
Language:English
Subjects:
Chemical synthesis
Citric acid
Cysteine
Density functional theory
DFT Study
DSSC
Dye-sensitized solar cells
Energy storage
Heterostructures
Molybdenum disulfide
MoS2@TiO2
Nanomaterials
Optoelectronic devices
Photocatalysis
Solar cells
Spectrum analysis
TiO2
Titanium
Titanium dioxide
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Summary:Herein, we synthesized a novel two-dimensional nanostructure of pure TiO2 and heterostructure of citric acid and l-cysteine capped on MoS2@TiO2 by hydrothermal method. Prepared nanomaterials are characterised by the latest analytical methods and the obtained results are compared with the Density Functional Theory based theoretical simulation results. The experimental and theoretical studies of pure TiO2, MoS2@TiO2 showed that the heterostructure has latent applications in many fields, such as dye-sensitized solar cell (DSSC) and optoelectronic devices, energy storage and conversion, etc. The optimized structure and lowest excited states of pure TiO2 and MoS2@TiO2 heterostructure should have been obtained by DFT. Especially the newly adopted experimental data of spectral analysis are well aligned with theoretical values. Through our investigation, it is evidenced that l-cysteine capped MoS2@TiO2 heterostructure has better solar cell performance compared to single-phase TiO2. The long lasting DSSC performances were significantly from 2.6 to 3.3%. •Synthesized a novel 2D layered TiO2 and MoS2@TiO2 nanostructures by hydrothermal method.•DFT studies of TiO2 and MoS2@TiO2 showed heterostructure has latent applications in the field of DSSC.•L-cysteine capped MoS2@TiO2 heterostructure have better solar cell performance compared to single phase TiO2.•The long lasting DSSC performances were significantly from 2.6 to 3.3 %.
ISSN:0921-4526
1873-2135
DOI:10.1016/j.physb.2022.413770