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Structure, stability and electronic properties of TiO 2 nanostructures
Author(s) -
Enyashin Andrey N.,
Seifert Gotthard
Publication year - 2005
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.200590012
Subject(s) - nanostructure , stability (learning theory) , materials science , nanotechnology , computer science , machine learning
The front cover of this issue depicts a view of two types of lepidocrocite‐based cylindrical nanotubes (TiO 2 , light grey – titanium, red – oxygen). These structures represent examples of a manifold of stable tubular forms of the titania layer modifications anatase and lepidocrocite. These structures were obtained using density‐functional based calculations and characterize the essen‐tial structural features of synthesized titania nanotubes. Andrey Enyashin is a PhD student at the Institute of Solid State Chemistry at the Ural Branch of the Russian Academy of Sciences in Ekaterinburg. He performed this study during a visit at the Institute of Physical Chemistry and Electrochemistry (IPEC) of the TU Dresden together with Gotthard Seifert. Professor Seifert is head of the theory group at the IPEC. His research interests are in the areas of quantum chemistry, cluster physics and computational materials research.