期刊
APPLIED PHYSICS LETTERS
卷 94, 期 19, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3139078
关键词
crystal structure; lattice constants; nanostructured materials; titanium compounds; vacancies (crystal); X-ray diffraction
资金
- Australian Research Council
- Australian Synchrotron Research Program
Simultaneous crystal structure, microstructure, and morphology modeling with convolution-based profile fitting of angle-dispersive synchrotron x-ray diffraction data was applied to retrieve the size-dependent lattice changes in nanocrystalline rutile TiO2. The dominant prismatic crystallite morphology was adequately modeled using the parallelepiped geometry. As with anatase TiO2, opposing trends of decreasing c and increasing a parameter, as well as lattice expansion with decreasing average crystallite size were observed. A correlation between Ti vacancy abundance and lattice volume increase suggests a possible causative link.
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