Figure 4 | Scientific Reports

Figure 4

From: Understanding and controlling the structure and segregation behaviour of AuRh nanocatalysts

Figure 4

Results of DFT calculations.

(a) Mixing energy versus atomic composition for 79-atom Au-Rh nanoalloy TO clusters and monometallic counterparts. The most stable cluster (Rh19@Au60) is enlarged in insert. (b) Structure and corresponding adsorption energy for clusters of selected compositions adsorbed on TiO2(110). Blue, yellow, cyan, and red spheres represent Rh, Au, Ti, and O atoms, respectively. Only one layer of the TiO2 slab is shown for simplicity. (c) Schematic view of the energetics of free and supported Au50Rh29 clusters.

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