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The application of nanocrystals as heterogeneous catalysts and plasmonicnanoparticles requires fine control of their shape and chemical composition. Apromising idea to achieve synergistic effects is to combine two distinctchemical and/or physical functionalities in bi-metallic core-shellnanocrystals. Although techniques for the synthesis of single-componentnanocrystals with spherical or anisotropic shape are well established, newmethods are sought to tailor multicomponent nanocrystals. Here, we probeetching in a controlled redox environment as a synthesis technique formulti-component nanocrystals. Our Monte Carlo computer simulations demonstratethe appearance of characteristic non-equilibrium intermediate microstructuresthat are further thermodynamically tested and analyzed with molecular dynamics.Convex platelet, concave polyhedron, pod, cage and strutted-cage shapes areobtained at room temperature with fully coherent structure exposingcrystallographic facets and chemical elements along distinct particlecrystallographic directions. We observe that structural and dynamic propertiesare markedly modified compared to the untreated compact nanocrystal.

Particle Shape Control via Etching of Core-Shell Nanocrystals