Table 5. Relaxed surface and attachment energy of monohydrocalcite.
Surface energy (J.m−2) | Attachment energy (eV) | |||
---|---|---|---|---|
(hkl) | Raiteri's model | Xiao's model | Raiteri's model | Xiao's model |
(100) | 1.48 | 1.54 | −13.75 | −7.82 |
(010) | 1.39 | 1.21 | −10.94 | −6.62 |
(001) | 1.00 | 0.99 | −24.94 | −5.66 |