On the structure of SrZrO3
β Scribed by J.A.M. van Roosmalen; P. van Vlaanderen; E.H.P. Cordfunke
- Publisher
- Elsevier Science
- Year
- 1992
- Tongue
- English
- Weight
- 796 KB
- Volume
- 101
- Category
- Article
- ISSN
- 0022-4596
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π SIMILAR VOLUMES
Laboratory and synchrotron X-ray powder di4raction and neutron powder di4raction have been used to determine crystal structures in the perovskites SrTi x Zr 1Ψx O 3 . Superlattice re6ections in the neutron di4raction patterns proved to be the most reliable indicators of lower symmetry structures. Th
## Abstract The doping effects on the proton incorporation and protonic conductivity of perovskiteβtype SrZrO~3~ were investigated using the density functional theory (DFT) with the generalized gradient approximation (GGA). The optimized geometries, formation energies of hydrogen defect and activat