Stability of Solid-Solution Phase and the Nature of Phase Separation in Ru鈥揨r鈥揙 Ternary Oxide

详细信息    查看全文

• 作者：Junqiu Zhu ; Xin Wang ; Zhonghua Yi ; Zhongzhi Tang ; Bo Wu ; Dian Tang ; Wei Lin
• 刊名：The Journal of Physical Chemistry C
• 出版年：2012
• 出版时间：December 13, 2012
• 年：2012
• 卷：116
• 期：49
• 页码：25832-25839
• 全文大小：470K
• 年卷期：v.116,no.49(December 13, 2012)
• ISSN：1932-7455

文摘

Equilibrium phase diagram of ruthenium鈥搝irconium oxide (Ru鈥揨r鈥揙) was calculated by a combination of ab initio density functional theory and thermodynamic calculations. The phase diagrams suggest that the solubility between ruthenium oxide and zirconium oxide is very low under normal experimental conditions, in good agreement with the prior reports in literature. Also provided is the theoretical support for the reported phenomenon that doping or amorphization of Ru鈥揨r鈥揙 might suppress phase separation of the oxide. To study the spinodal decomposition of Ru鈥揨r鈥揙, we successfully prepared an amorphous Ru_0.48Zr_0.52O₂ film of a solid solution phase by a thermal decomposition at a low temperature (563 K). In situ transmission electron microscopy was utilized to witness the spinodal decomposition of the amorphous Ru_0.48Zr_0.52O₂ solid solution by electron鈥揵eam annealing. The present fundamental study of the phase behavior of Ru鈥揨r鈥揙 provides a guideline for the phase and microstructure design of Ru-based mixed oxides for various important applications.