Near Surface Stoichiometry in UO₂: A Density Functional Theory Study

Table 1

The chemical potential of O as a function of the temperature. The entropy and enthalpy changes are taken from the JANAF thermochemical tables at  atm [16].

/[K]	(, )/[eV]	/[K]	(, )/[eV]	/[K]	(, )/[eV]	/[K]	(, )/[eV]
100	−0.171	600	−1.357	1100	−2.720	1600	−4.181
200	−0.384	700	−1.619	1200	−3.006	1700	−4.482
300	−0.613	800	−1.887	1300	−3.295	1800	−4.785
400	−0.852	900	−2.160	1400	−3.587	1900	−5.091
500	−1.101	1000	−2.438	1500	−3.883	2000	−5.398