Fig. 2: Fe SAC Formation mechanism investigation.

Series of a TEM and b HAADF-STEM images of Fe SACs acquired at different temperatures. c EXAFS analysis of Fe SACs acquired at different temperatures. The y-axis values for each sample were individually normalized by the intensities of their respective main peaks for comparing the location of main peaks. d Fe K-edge WT-EXAFS plots of Fe SACs acquired at different temperatures. e Density functional theory calculations for formation energy of Fe SACs as a function of the temperature. The colored areas show the region of most stable structures under the lines with the lowest formation energy. The corresponding experimental temperature range is marked by dashed lines. The black arrow indicates the template activation temperature of 801 °C, beyond which Cl-containing species begin to form.