Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 14, Issue 42, Pages 14567-14572Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2cp42763j
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Funding
- Academy of Sciences of the Czech Republic [IAA 400400804, KAN 200100801]
- EC [NMP-246124]
- Hungarian Science Foundation [OTKA K81492]
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Six representative isotope-labeled samples of titanium dioxide were synthesized: (TiO2)-O-16, (TiO2)-O-17 and (TiO2)-O-18, each in anatase and rutile forms. Their Raman scattering was analyzed at temperatures down to 5 K. Spectral assignment was supported by numerical simulation using DFT calculations. The combination of experimental and theoretical Raman frequencies with the corresponding isotopic shifts allowed us to address various still-open questions about the second-order Raman scattering in rutile, and the analysis of overlapping features in the anatase spectrum.
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