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Determination of the electronic band structure of the rutile polymorph of TiO2: a quantum chemical approach Cover

Determination of the electronic band structure of the rutile polymorph of TiO2: a quantum chemical approach

Materials Science-Poland
Volume 29 (2011): Issue 3 (September 2011)
By:   
Open Access
|Feb 2012
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DOI: https://doi.org/10.2478/s13536-011-0035-3 | Journal eISSN: 2083-134X | Journal ISSN: 2083-1331
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Language: English
Page range: 223 - 232
Published on: Feb 29, 2012
Published by: Wroclaw University of Science and Technology
In partnership with: Paradigm Publishing Services
Publication frequency: 4 issues per year
Keywords:
rutile,
band structure,
B3LYP,
surface termination,
surface formation energy
Related subjects:
Materials sciences,
Materials sciences, other,
Nanomaterials,
Functional and smart materials,
Materials characterization and properties

© 2012 P. Bardziński, published by Wroclaw University of Science and Technology
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Volume 29 (2011): Issue 3 (September 2011)
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