Optical properties of anatase TiO2: Computational and experimental studies

Sudarsono Sudarsono; Nisrina K. Salsabila; Retno Asih; Gatut Yudoyono; Darminto Darminto

doi:10.1063/5.0116780

Optical properties of anatase TiO₂: Computational and experimental studies

Sudarsono Sudarsono, Nisrina K. Salsabila, Retno Asih, Gatut Yudoyono, Darminto Darminto^*

^*Corresponding author for this work

Institut Teknologi Sepuluh Nopember

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

Abstract

Anatase is one of the most suitable TiO2 phases in photoactive systems which has excellent properties such as photo corrosion resistance, adjustable microstructure, nontoxicity, stability of chemical, and relatively low price. TiO2 is a semiconductor with a band gap of∼3.2 eV under UV radiation activating, so it is very important to know the band gap of the synthesized anatase TiO2 before being applied in photoactive systems or other applications. In this study, computational calculation of the band gap of anatase TiO2 was carried out using Density Functional Theory (DFT), and the synthesis of anatase TiO2 was performed with TiCl3 precursor. The calculated electronic band gap of anatase TiO2 is ∼2.2 eV, while the experimental values of optical band gap are in the range of 3.188 - 3.203 eV.

Original language	English
Title of host publication	2nd International Symposium on Physics and Applications 2021
Editors	Retno Asih, Nasori, Saifuddin, Muhammad Haekal
Publisher	American Institute of Physics Inc.
ISBN (Electronic)	9780735444676
DOIs	https://doi.org/10.1063/5.0116780
Publication status	Published - 9 May 2023
Event	2nd International Symposium on Physics and Applications 2021, ISPA 2021 - Surabaya, Indonesia Duration: 13 Nov 2021 → 14 Nov 2021

Publication series

Name	AIP Conference Proceedings
Volume	2604
ISSN (Print)	0094-243X
ISSN (Electronic)	1551-7616

Conference

Conference	2nd International Symposium on Physics and Applications 2021, ISPA 2021
Country/Territory	Indonesia
City	Surabaya
Period	13/11/21 → 14/11/21

Access to Document

10.1063/5.0116780

Cite this

Sudarsono, S., Salsabila, N. K., Asih, R., Yudoyono, G., & Darminto, D. (2023). Optical properties of anatase TiO₂: Computational and experimental studies. In R. Asih, Nasori, Saifuddin, & M. Haekal (Eds.), 2nd International Symposium on Physics and Applications 2021 Article 070005 (AIP Conference Proceedings; Vol. 2604). American Institute of Physics Inc.. https://doi.org/10.1063/5.0116780

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abstract = "Anatase is one of the most suitable TiO2 phases in photoactive systems which has excellent properties such as photo corrosion resistance, adjustable microstructure, nontoxicity, stability of chemical, and relatively low price. TiO2 is a semiconductor with a band gap of∼3.2 eV under UV radiation activating, so it is very important to know the band gap of the synthesized anatase TiO2 before being applied in photoactive systems or other applications. In this study, computational calculation of the band gap of anatase TiO2 was carried out using Density Functional Theory (DFT), and the synthesis of anatase TiO2 was performed with TiCl3 precursor. The calculated electronic band gap of anatase TiO2 is ∼2.2 eV, while the experimental values of optical band gap are in the range of 3.188 - 3.203 eV.",

author = "Sudarsono Sudarsono and Salsabila, {Nisrina K.} and Retno Asih and Gatut Yudoyono and Darminto Darminto",

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Sudarsono, S, Salsabila, NK, Asih, R , Yudoyono, G & Darminto, D 2023, Optical properties of anatase TiO₂: Computational and experimental studies. in R Asih, Nasori, Saifuddin & M Haekal (eds), 2nd International Symposium on Physics and Applications 2021., 070005, AIP Conference Proceedings, vol. 2604, American Institute of Physics Inc., 2nd International Symposium on Physics and Applications 2021, ISPA 2021, Surabaya, Indonesia, 13/11/21. https://doi.org/10.1063/5.0116780

Optical properties of anatase TiO₂: Computational and experimental studies. / Sudarsono, Sudarsono; Salsabila, Nisrina K.; Asih, Retno et al.
2nd International Symposium on Physics and Applications 2021. ed. / Retno Asih; Nasori; Saifuddin; Muhammad Haekal. American Institute of Physics Inc., 2023. 070005 (AIP Conference Proceedings; Vol. 2604).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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