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Size effect on phase transition sequence of TiO2 nanocrystal

โœ Scribed by Ke-Rong Zhu; Ming-Sheng Zhang; Jian-Ming Hong; Zhen Yin

Book ID
108214432
Publisher
Elsevier Science
Year
2005
Tongue
English
Weight
352 KB
Volume
403
Category
Article
ISSN
0921-5093

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With the aid of ab initio calculations, we compare the phase behavior upon lithiation of rutile particles of different sizes and morphologies. A rationale for the differences in their structural behavior is provided by combining concepts from Crystal Field Theory and semi-empirical concepts, such as