Thermodynamic properties of transition-metal-doped cerium oxide with fluorite crystal structures
Abstract
) becomes negative decreases and confirms a substantial improvement in redox reactivity. We further find that transition metal doping reduces the enthalpy required for oxygen vacancy formation, highlighting the dominant role of enthalpy over entropy in driving reaction feasibility when there are no significant changes in the crystal structure. Building on these findings, we present calculated results for ceria samples doped with 12.50 mol% and 25.00 mol% transition metals and compare them with the experimental data. These results provide a clear thermodynamic rationale for optimizing dopant species and concentration in solar redox materials.
Fields of Study & Subjects
Chemical Looping and Thermochemical Processes
Nuclear Materials and Properties
Inorganic Fluorides and Related Compounds
Publication details
- Journal / source
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 28
- Issue
- 22
- Pages
- 13353–13361
- Publication date
- 1 January 2026
- Language
- EN