Figure 9
Advanced EXAFS analysis of Pu(III) sorbed at magnetite. (a) Experimental Pu L3-edge EXAFS spectra (black) shown as k3-weighted chi function (insert) and its Fourier transform magnitude with Monte Carlo (MC) simulation in red. (b) Pu–O (black) and Pu–Fe (red) pair distribution function derived from the EXAFS data in (a) by MC fit. (c) Slab of magnetite cut along the {111} face (Fe in blue balls, O in red balls). The orange to green balls near the upper and lower magnetite faces depict MC-derived Pu positions with decreasing error between the experimental and MC simulated EXAFS spectra shown in (a). (d) Position of the PuIII nona-aqua cation at the magnetite surface derived by MC simulation (Kirsch et al., 2011). |