arXiv Open Access 2015

Structural defects and electronic structure of N-ion implanted TiO2: bulk versus thin film

D. A. Zatsepin D. W. Boukhvalov E. Z. Kurmaev I. S. Zhidkov N. V. Gavrilov +2 lainnya

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Abstrak

Systematic investigation of atomic structure of N-ion implanted TiO2 (thin films and bulk ceramics) was performed by XPS measurements (core levels and valence bands) and first-principles density functional theory (DFT) calculations. In bulk samples experiment and theory demonstrate anion N->O substitution. For the thin films case experiments evidence valuable contributions from N2 and NO molecule-like structures and theoretical modeling reveals a possibility of formation of these species as result of the appearance of interstitial nitrogen defects on the various surfaces of TiO2. Energetics of formation of oxygen vacancies and its key role for band gap reduction is also discussed.

Topik & Kata Kunci

cond-mat.mtrl-sci physics.chem-ph

Penulis (7)

D. A. Zatsepin

D. W. Boukhvalov

E. Z. Kurmaev

I. S. Zhidkov

N. V. Gavrilov

M. A. Korotin

S. S. Kim

Format Sitasi

APA MLA BibTeX

Zatsepin, D.A., Boukhvalov, D.W., Kurmaev, E.Z., Zhidkov, I.S., Gavrilov, N.V., Korotin, M.A. et al. (2015). Structural defects and electronic structure of N-ion implanted TiO2: bulk versus thin film. https://arxiv.org/abs/1507.07647

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Informasi Jurnal

Tahun Terbit: 2015
Bahasa: en
Sumber Database: arXiv
Akses: Open Access ✓