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RETRACTED ARTICLE: Synthesis, structural and optical characterizations of ZrO2-bromothymol blue nanocomposite thin-film [ZrO2+BTB]C and its application: experimental and TDD-DFT computations

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Abstract

A [ZrO2+BTB]C nanocomposite was synthesized and prepared as a thin film using the sol–gel spin coating method. Different characterization techniques for [ZrO2+BTB]C like FTIR, UV–Vis, and optical properties have been used. The resulted XRD and SEM data have been employed to study interface composites. The optimization was performed using DFT by DMol 3 and CASTEP program. The chemical structure was confirmed by spectroscopic and structural properties for [ZrO2+BTB]C. XRD results showed the same crystal structure. Combined between experimental and TDD-DFT data, the average crystallite size and composite interface are 12.36 nm and orthorhombic symmetry (a = 7.38(5); b = 18.178(6); c = 26.10(3) Å and a = b = g = 90°) with space group (P61) for [ZrO2+BTB]C, respectively, while those computed by DFT are 2.897 eV and 2.492 eV for as-isolated crystals of [BTB]TF and [ZrO2+BTB]C, respectively. Both [BTB]TF and [ZrO2+BTB]C thin films have direct allowed transitions. In addition, the optoelectrical parameters have been calculated for [BTB]TF and [ZrO2+BTB]C films such as refractive index, extinction coefficient, dielectric constant, and optical conductivity. The simulated values obtained by CATSTEP for the optical parameters of [ZrO2+BTB]C are in good agreement with the experimental values. PL technique analyses indicated two emission peaks appeared at 357 nm, and 497 nm for [ZrO2+BTB]C, whereas three emission peaks appeared at 335 nm, 383 nm, and 477 nm for [BTB]TF. The [ZrO2+BTB]C presents a good candidate for optoelectronics and solar cell applications.

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Acknowledgements

The authors extend their appreciation to the Deputyship for Research & Innovation, Ministry of Education in Saudi Arabia, for funding this research work through the project number “IF_2020_NBU_450”.

Funding

This study was funded by Northern Borders University to Roaa T. Mogharbel.

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Authors and Affiliations

  1. Chemistry Department, Faculty of Science, Northern Border University, Arar, 73222, Saudi Arabia

    Roaa T. Mogharbel

  2. Chemistry Department, Faculty of Science, New Valley University, El-Kharga, 72511, New Valley, Egypt

    Ahmed F. Al-Hossainy, Samia M. Ibrahim, Asmaa Yahia & Nasser Farhan

  3. Physics Department, Faculty of Science, Tanta University, Tanta, 31527, Egypt

    Ali. Ibrahim

  4. Chemistry Department, Faculty of Science, Assiut University, Assiut, 71515, Egypt

    Mohamed Abd El-Aal

  5. Chemical and Materials Engineering Department, King Abdulaziz University, Rabigh, 21911, Saudi Arabia

    Mohamed Sh. Zoromba

  6. Chemistry Department, Faculty of Science, Port-Said University, 23 December Street, Port-Said, 42521, Egypt

    Mohamed Sh. Zoromba

Authors
  1. Roaa T. Mogharbel
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  2. Ahmed F. Al-Hossainy
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  3. Ali. Ibrahim
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  4. Mohamed Abd El-Aal
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  5. Mohamed Sh. Zoromba
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  6. Samia M. Ibrahim
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  7. Asmaa Yahia
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  8. Nasser Farhan
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Contributions

RTM, AFA-H, AI, SMI, and NF contributed to conceptualization; AFA-H, AI, MAE-A, MSZ, and SMI provided software; RTM, AFA-H, AI, AY, MAE-A, MSZ, SMI, and NF carried out formal analysis; AFA-H, AI, AY, MAE-A, MSZ, and NF performed data curation; A RTM, AFA-H, AI, MAE-A, MSZ, AY, SMI, and NF performed writing—review and editing; RTM provided funding.

Corresponding authors

Correspondence to Roaa T. Mogharbel or Ahmed F. Al-Hossainy.

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Mogharbel, R.T., Al-Hossainy, A.F., Ibrahim, A. et al. RETRACTED ARTICLE: Synthesis, structural and optical characterizations of ZrO2-bromothymol blue nanocomposite thin-film [ZrO2+BTB]C and its application: experimental and TDD-DFT computations. J Mater Sci: Mater Electron 33, 20556–20576 (2022). https://doi.org/10.1007/s10854-022-08869-4

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