Electronic and Optical Properties of TiO2 Thin Films: Combined Experimental and Theoretical Study

Soussi, A.; Hssi, A. Ait; Boujnah, M.; Boulkadat, L.; Abouabassi, K.; Asbayou, Abdellah; Elfanaoui, A.; Markazi, R.; Ihlal, A.; Bouabid, K.

doi:10.1007/s11664-021-08976-8

Cited by 29 publications

(14 citation statements)

References 46 publications

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“…In addition, the DOS confirms the semiconducting results obtained in band structure with large band gaps values (Eg) of 2.150 and 3 eV for the GGA and mBJ approximations, respectively. These results are very close to others literature results using the same approximations (GGA and mBJ), [ 43 ] but are not agreement with the experimental results obtained in this paper or others published previously. [ 44 ] As can be seen from the GGA approximation, we obtained a band gap result without accuracy; this is normally due to the limitation of the GGA approach, because this approximation predicts the fundamental metallic state of TiO 2 and cannot adequately describe the categories of materials that have high electronic localization.…”

Section: Resultssupporting

confidence: 78%

“…From Table 3, it can be confirmed that the theoretical properties of TiO 2 have been more improved than the previous works recently published in literature. [ 43,44,51 ]…”

Section: Resultsmentioning

confidence: 99%

“…From Table 3, it can be confirmed that the theoretical properties of TiO 2 have been more improved than the previous works recently published in literature. [43,44,51] 3.2.3 | Refractive index (n) and extinction coefficient (k) Figure 10a illustrates the index of refraction (n) versus wavelength were carried out between 350 and 900 nm. The refraction index changed with tree DFT approximations used in this paper.…”

Section: Structural Propertiesmentioning

confidence: 99%

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Theoretical validation of experimental properties of TiO₂ prepared through organometallic precursors

Doubi

Hartiti

Siadat

et al. 2023

Applied Organom Chemis

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Our TiO 2 thin films were elaborated using spray pyrolysis technique. The spray solutions were prepared by two titanium precursors: titanium (IV) propoxide and titanium chloride. The elaborated thin films were analyzed with different characterization techniques such as X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM), and UV-visible spectroscopy.These characterizations showed that the change of precursors from titanium chloride to titanium propoxide has a significant impact on all TiO 2 properties.The structural characterizations showed the formation of anatase TiO 2 and the crystallization improvement when the precursor changed from titanium chloride to titanium (IV) propoxide, which proves the superiority of our TiO 2 thin layers made without any type of annealing in comparison with other previous studies. The SEM images showed an improvement of the surface quality of the TiO 2 thin layers with the change of TiO 2 precursors' solution. The obtained optical properties confirmed the semiconducting properties of TiO 2 prepared by titanium propoxide with a large band gap equal to 3.28 eV and shifted to 3.18 eV. The refractive index increases from $1.75 to $2.14, while the porosity decreases. To confirm the experimental results, the Wien2K code, founded on the full-potential linearized augmented plane wave (FP-LAPW), has been used. The theoretical study has been done by applying the generalized gradient approximation (GGA), the modified Beck-Johnson (MBJ) exchange potential, and the local spin density approximation + Hubbard's parameter U (LSDA + U). The theoretical results varied with the variation of approximations. The obtained properties were improved with LSDA + U and acquired the real values of Eg, n, and k for anatase TiO 2 (like Eg = 3.214 eV). The obtained experimental and theoretical results could be considered superposable or better than other ones recently published.

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Section: Resultssupporting

confidence: 78%

“…From Table 3, it can be confirmed that the theoretical properties of TiO 2 have been more improved than the previous works recently published in literature. [ 43,44,51 ]…”

Section: Resultsmentioning

confidence: 99%

Section: Structural Propertiesmentioning

confidence: 99%

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Theoretical validation of experimental properties of TiO₂ prepared through organometallic precursors

Doubi

Hartiti

Siadat

et al. 2023

Applied Organom Chemis

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“…30 In particular, the rutile phase of TiO 2 has a higher refractive index than the anatase and brookite phases, making it more advantageous NIR-reflective material for LiDAR sensors. 31,32 A hollow shape was then formed by etching the glass template continuously with stirring using a mixture of HF to create HL/WT. The primary reason for using HF as an etchant solution is its high electronegativity, which enables fluorine atoms to attract electrons and break down the Si−O bonds that hold the glass together.…”

Section: ■ Results and Discussionmentioning

confidence: 99%

Designing Novel LiDAR-Detectable Plate-Type Materials: Synthesis, Chemistry, and Practical Application for Autonomous Working Environment

Jekal,

Otgonbayar,

Noh

et al. 2024

ACS Appl. Mater. Interfaces

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Plate-type hollow black TiO 2 (HL/BT) with a high NIR reflectance was fabricated for the first time as a LiDARdetectable black material. A TiO 2 layer was formed on commercialgrade glass by using the sol−gel method to obtain a plate-type structure. The glass template was then etched with hydrofluoric acid to form a hollow structure, and blackness was further achieved through NaBH 4 reduction, which altered the oxidation state of TiO 2 to black Ti x O 2x−1 or Ti 4+ to Ti 3+ and Ti 2+ . The blackness of the HL/BT material was maintained by a novel approach that involved etching prior to reduction. The thickness of the TiO 2 layer was controlled to maximize the NIR reflectance when applied as paint. The HL/BT material with a thickness of 140 nm (HL/ BT140) showed a blackness (L*) of 13.3 and high NIR reflectance of 23.6% at a wavelength of 905 nm. This is attributed to the effective light reflection at the interface created by the TiO 2 layer and the hollow structure. Plate-type HL/BT140 provides excellent spreadability, durability, and thermal stability in practical paint applications compared with sphere-type materials due to the higher contacting area to the applied surface, making it suitable for use as a LiDAR-detectable inorganic black pigment in autonomous environments.

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“…Titanium dioxide (TiO 2 ) is a transition metal oxide with crystal structures of anatase, rutile and brookite. TiO 2 has been vigorously applied in many fields in photonics due to its outstanding nonlinear optical properties [10], [11]. In addition, the high nonlinear refractive index of TiO 2 promotes strong light confinement in optical Norita Mohd Yusoff is with the Wireless and Photonics Networks Research Centre, Faculty of Engineering, Universiti Putra Malaysia, 43400 Serdang, Selangor, Malaysia (e-mail: gs58032@student.upm.edu.my).…”

Section: Introductionmentioning

confidence: 99%

TiO₂-SiO₂ Nanocomposite Saturable Absorber for Ultrafast Photonics

Yusoff

Rosli

et al. 2023

IEEE Photonics J.

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A tapered microfiber decorated with titanium dioxide-silicon dioxide nanocomposite saturable absorber (TiO 2 -SiO 2 -SA) is demonstrated via alkali fusion method and spincoating technique. The TiO 2 -SiO 2 -SA exhibited 17.1% modulation depth, 31.7 µJ/cm 2 saturation fluence and 35.4% non-saturable loss. The TiO 2 -SiO 2 -SA was able to generate a pulse duration of 797 fs at a repetition rate of 10.39 MHz and an average output power of 16.57 mW at 1.56 µm. This work presents an enhanced pulse duration within titanium-based saturable absorbers. The high damage threshold of beyond 24.82 GW/cm 2 and excellent stability are believed to have opened a new route of using nanomaterials derived from waste product for next generation ultrafast photonic applications.

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Electronic and Optical Properties of TiO2 Thin Films: Combined Experimental and Theoretical Study

Cited by 29 publications

References 46 publications

Theoretical validation of experimental properties of TiO₂ prepared through organometallic precursors

Theoretical validation of experimental properties of TiO₂ prepared through organometallic precursors

Designing Novel LiDAR-Detectable Plate-Type Materials: Synthesis, Chemistry, and Practical Application for Autonomous Working Environment

TiO₂-SiO₂ Nanocomposite Saturable Absorber for Ultrafast Photonics

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Electronic and Optical Properties of TiO2 Thin Films: Combined Experimental and Theoretical Study

Cited by 29 publications

References 46 publications

Theoretical validation of experimental properties of TiO2 prepared through organometallic precursors

Theoretical validation of experimental properties of TiO2 prepared through organometallic precursors

Designing Novel LiDAR-Detectable Plate-Type Materials: Synthesis, Chemistry, and Practical Application for Autonomous Working Environment

TiO2-SiO2 Nanocomposite Saturable Absorber for Ultrafast Photonics

Contact Info

Product

Resources

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Theoretical validation of experimental properties of TiO₂ prepared through organometallic precursors

Theoretical validation of experimental properties of TiO₂ prepared through organometallic precursors

TiO₂-SiO₂ Nanocomposite Saturable Absorber for Ultrafast Photonics