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

Title
Structural defects and electronic structure of N-ion implanted TiO2: Bulk versus thin film
Author
Bukhvalov, Danil
Keywords
X-ray photoelectron spectroscopy; Ion implantation; Density functional calculations
Issue Date
2015-12
Publisher
ELSEVIER SCIENCE BV
Citation
APPLIED SURFACE SCIENCE, v. 355, Page. 984-988
Abstract
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 N-2 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. (C) 2015 Elsevier B.V. All rights reserved.
URI
http://www.sciencedirect.com/science/article/pii/S0169433215017675?via%3Dihubhttp://hdl.handle.net/20.500.11754/30038
ISSN
0169-4332; 1873-5584
DOI
10.1016/j.apsusc.2015.07.190
Appears in Collections:
COLLEGE OF NATURAL SCIENCES[S](자연과학대학) > CHEMISTRY(화학과) > Articles
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