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Table 1 Estimated surface energies (J/m 2 ) of the aragonite surfaces

From: Incorporation of Mg2+ in surface Ca2+ sites of aragonite: an ab initio study

Surface This work Akiyama et al. de Leeuw and Parker
DFT DFT Empirical potential
Pure Pure Pure Hydrated
{001} \( {\theta}_{{\mathrm{CO}}_3}=0.5 \) 0.49 0.58 0.85 0.90
{010} θ Ca = 0.5 0.57 0.73 0.96 0.24
{110} θ Ca = 0.5 0.49 0.64 0.88 0.56