Structural optimization of Au–Pd bimetallic nanoparticles with improved particle swarm optimization method*

Project supported by the National Natural Science Foundation of China (Grant Nos. 11474234 and 61403318) and the Fundamental Research Funds for the Central Universities of China (Grant No. 20720160085).

Shao Gui-Fang, Zhu Meng, Shangguan Ya-Li, Li Wen-Ran, Zhang Can, Wang Wei-Wei, Li Ling
       

(color online) Initial cross-section atomic configurations of THH shape with (a) random mixing, (b) core-shell structure, and (c) phase structure for Au–Pd alloy NPs. Au atoms are in yellow and Pd atoms in brown.