Stability and spinodal decomposition of the solid-solution phase in the ruthenium-cerium-oxide electro-catalyst

作者：Li, Yanmei; Wang, Xin^*; Shao, Yanqun; Tang, Dian; Wu, Bo; Tang, Z*******; Lin, Wei

来源：Physical Chemistry Chemical Physics, 2015, 17(2): 1156-1164.

DOI：10.1039/c4cp04131c

• DENSITY-FUNCTIONAL THEORY
• AB-INITIO CALCULATION
• EXCESS GIBBS ENERGY
• ELECTROCATALYTIC PROPERTIES
• 1ST PRINCIPLES
• 1ST-PRINCIPLES CALCULATIONS
• TEMPERATURE-DEPENDENCE
• SURFACE-PROPERTIES
• RU/CEO2 CATALYSTS
• SUPERHARD PHASES

The phase diagram of Ru-Ce-O was calculated by a combination of ab initio density functional theory and thermodynamic calculations. The phase diagram indicates that the solubility between ruthenium oxide and cerium oxide is very low at temperatures below 1100 K. Solid solution phases, if existing under normal experimental conditions, are metastable and subject to a quasi-spinodal decomposition to form a mixture of a Ru-rich rutile oxide phase and a Ce-rich fluorite oxide phase. To study the spinodal decomposition of Ru-Ce-O, Ru0.6Ce0.4O2 samples were prepared at 280 degrees C and 450 degrees C. XRD and in situ TEM characterization provide proof of the quasi-spinodal decomposition of Ru0.6Ce0.4O2. The present study provides a fundamental reference for the phase design of the Ru-Ce-O electro-catalyst.

• 出版日期2015
• 单位福州大学