2000-09-26. Activation energy for oxygen migration: summary of the data

GOAL

Summary of the data on the activation energy for oxygen migration in the $Ce_{(1-x)}D_xO_{2-\frac{x}{2}},\;D=Mn,Y,Gd,La$ mixed oxides.

Results

Roadmap of the calculations:

$CeO_2/Mn_2O_3$	2000-09-07
$CeO_2/Y_2O_3$	2000-09-14
$CeO_2/Gd_2O_3$	2000-09-11
$CeO_2/La_2O_3$	2000-09-19

All calculations were made according to the procedure outlined at the end of 2000-08-10 (17):

1. for each composition, evaluate the energy profile for an oxygen migrating from $\left(\frac{1}{4},\frac{1}{4},\frac{1}{4}\right)$ to $\left(\frac{3}{4},\frac{1}{4},\frac{1}{4}\right)$
2. evaluate the activation energy as the difference between the maximum and minimum energy of the profile so obtained