Journal of Chemistry / 2015 / Article / Tab 1

Research Article

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]

100−0.171600−1.3571100−2.7201600−4.181
200−0.384700−1.6191200−3.0061700−4.482
300−0.613800−1.8871300−3.2951800−4.785
400−0.852900−2.1601400−3.5871900−5.091
500−1.1011000−2.4381500−3.8832000−5.398

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