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. 2016 Jun 16;7:11981. doi: 10.1038/ncomms11981

Figure 8. DFT calculation.

Figure 8

Adsorption geometries of the intermediates H2O, *OH, *O and *OOH in a,b,c and d, respectively. The red, blue, white, grey atoms represent the O, Ni, H and V atoms, respectively. The adsorption structures are similar to these when one Ni is substituted by Fe instead of V; (e) the free-energy landscape.