Atomic-scale structure of amorphous TiO2 by electron, X-ray diffraction and reverse Monte Carlo simulations
| Autor: | G. Holzhüter, B. Himmel, Valeri Petkov, U Tröge, Th. Gerber |
|---|---|
| Rok vydání: | 1998 |
| Předmět: |
Diffraction
Materials science Coordination number Monte Carlo method Physics::Optics Reverse Monte Carlo Condensed Matter Physics Atomic units Molecular physics Electronic Optical and Magnetic Materials Amorphous solid Condensed Matter::Materials Science Crystallography Electron diffraction X-ray crystallography Physics::Atomic and Molecular Clusters Materials Chemistry Ceramics and Composites |
| Zdroj: | Journal of Non-Crystalline Solids. 231:17-30 |
| ISSN: | 0022-3093 |
| Popis: | Amorphous TiO2 materials, layers and powders, have been produced by different preparation techniques. The layers have been subjected to electron diffraction and the bulk powders to X-ray diffraction experiments. Three-dimensional structure models consistent with the experimental structure functions have been constructed by reverse Monte Carlo simulations. Partial distribution functions, interatomic distances and coordination numbers have been extracted from the model atomic configurations. The atomic arrangement in all amorphous TiO2 materials investigated has been found to resemble that occurring in brookite, a crystalline modification of TiO2, and to be well described as an assembly of short, staggered chains of Ti–O octahedra. The crystallization behaviour of amorphous TiO2 materials has also been discussed. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect