First-principles calculations of equilibrium cerium isotope fractionation in aqueous solution and during adsorption onto goethite
The PBE0/SDD level is tested to be suitable in Table S1. The scaling factor is shown in Table S2. The different figures on fractionation factor is tested in Table S3. And the figure S1 shows the fractionation factor of adsorption surface complex of goethite with different amounts of water molecules.