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Simulation of the OH−group location in the cubic phase of BaTiO3crystals

✍ Scribed by A. V. Yatsenko; A. A. Yatsenko


Book ID
114992034
Publisher
SP MAIK Nauka/Interperiodica
Year
2012
Tongue
English
Weight
316 KB
Volume
57
Category
Article
ISSN
1063-7745

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A quantum molecular dynamics study of th
✍ W Münch; G Seifert; K.D Kreuer; J Maier 📂 Article 📅 1997 🏛 Elsevier Science 🌐 English ⚖ 374 KB

High proton mobility in perovskite-type oxides of composition ABO strongly depends on the dynamics of the proton 3 environment, especially on the fluctuations of the oxide ion separations. The dynamics of the oxide host lattices of the model materials BaTiO , and BaZrO have been studied using quantu