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. 2013 Oct 7;3:2886. doi: 10.1038/srep02886

Figure 4. DFT calculations.

Figure 4

Top panel: side view of the optimized stable adsorption and transition-state (TS) structures for Pb on Co3O4(001) and (111) surfaces. Bottom panel: the TS barriers of Pb on Co3O4(001) and (111) surfaces, and top view of these optimized stable adsorption and TS structures are also shown. After overcoming the TS barriers, Pb reaches the nearest neighboring stable adsorption site.