Synergistic effects of heteroatom engineering in N-doped TiO2 films probed by X-ray absorption and photoelectron spectroscopy

Diana Vanda Wellia*, Feri Ardiansyah, Alice Lim, Syukri Arief, Riki Subagyo, Atthar Luqman Ivansyah, Xiongfang Liu, Sri Hartati, Afif Akmal Afkauni, Lei Zhang, Chi Sin Tang, Xinmao Yin, Caozheng Diao, Mark B.H. Breese, Arramel, Yuly Kusumawati

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

The precise control of electronic structure in nitrogen-doped titanium dioxide (N-TiO2) is crucial for optimizing its optoelectronic performance. In this study, N-TiO2 films were prepared via an in-situ hydrothermal method by varying the urea concentrations. Surface-sensitive X-ray photoelectron (XPS) and high-brilliance synchrotron-based X-ray absorption (XAS) spectroscopy is employed to probe the electronic and local structural modifications. Despite an incremental change of urea concentration, the chemical state of Ti4+ state is preserved within the experimental conditions. This is possible since the stabilized oxygen vacancies is accessible by hosting electrons at the neighbouring Ti atoms, and altering the Ti–N/O bond geometries. The XAS further revealed distinct orbital features within the Ti L3-edge in which t2g and eg peak splitting are highlighted the D2d symmetry of anatase. The incorporation of nitrogen enhanced N 2p–O 2p hybridization, weakening Ti 3d–O 2p hybridization. The fluctuating trend in the area ratio of eg (dz2) orbital infers direct evidence of the electron redistribution within Ti 3d–O 2p orbitals along the z-axis. These findings were corroborated in a similar trend shown at the pre-edge features, indicating the unprecedented charge carrier dynamics in this doped TiO2 system. These synchrotron-based measurements unveil the electronic modifications of N-TiO2, paving the way for the rational design of tunable heteroatom-doped metal oxides materials.

Original languageEnglish
Article number105812
JournalSurfaces and Interfaces
Volume58
DOIs
Publication statusPublished - 1 Feb 2025

Keywords

  • N-doped TiO
  • Orbital reconstruction, Electron redistribution
  • Structural modification
  • X-ray absorption spectroscopy

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