Design, Synthesis, and Structural Characterization of Fe²⁺-Doped Anatase TiO₂ Nanocrystals and Its Impact on Electronic Properties and Photocatalytic Activity

Abstract

Anatase-phase TiO₂ nanorods with diameters of approximately 3 ± 1 nm and lengths of 40 ± 10 nm were successfully synthesized using a solvothermal method, followed by metal doping through thermal diffusion of Fe²⁺ ions onto the nanocrystals. The dopant incorporation process led to a significant enhancement in the visible light absorption of TiO₂, as observed from the red-shift in the UV-visible absorption spectra. This modification suggests a narrowing of the bandgap, making the material more suitable for photocatalytic applications under visible light. Specifically, Fe-doped TiO₂ nanorods with 1.0% Fe²⁺ exhibited a 35% increase in photocatalytic hydrogen production under visible light illumination compared to pure TiO₂. Electron microscopy and X-ray diffraction (XRD) analysis confirmed that the size and morphology of the nanocrystals remained unaffected by the doping process, retaining their anatase phase with no significant structural alteration. Additionally, UV-visible spectroscopy demonstrated a reduction in the bandgap energy of the TiO₂ nanorods from 3.5 eV in pure TiO₂ to a range of 3.14-3.34 eV for the Fe-doped samples. This decrease in bandgap energy is attributed to the introduction of iron ions into the TiO₂ lattice, which facilitates enhanced light absorption and improved photocatalytic efficiency. The ability to precisely control the dopant concentration while preserving the structural integrity of the TiO₂ nanocrystals is a key advantage of this method. The findings suggest that Fe-doped TiO₂ nanorods, with their enhanced photocatalytic activity, could serve as efficient materials for various applications, including hydrogen production, solar cells, and environmental sensing. These findings highlight the potential of Fe-doped TiO₂ nanorods as efficient materials for a range of clean energy technologies and environmental remediation processes.

Article information

Article type
Paper
Submitted
16 May 2025
Accepted
30 Jul 2025
First published
04 Aug 2025
This article is Open Access
Creative Commons BY-NC license

Mater. Adv., 2025, Accepted Manuscript

Design, Synthesis, and Structural Characterization of Fe²⁺-Doped Anatase TiO₂ Nanocrystals and Its Impact on Electronic Properties and Photocatalytic Activity

R. Hossain, A. W. Apblett, J. Hollow, V. Chesterfield and D. Langley, Mater. Adv., 2025, Accepted Manuscript , DOI: 10.1039/D5MA00497G

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