Strain-Induced Segregation in Bimetallic Multiply Twinned Particles

J Phys Chem Lett. 2015 May 21;6(10):1930-4. doi: 10.1021/acs.jpclett.5b00706. Epub 2015 May 8.

Abstract

We analyze the possibility of strain-induced segregation in bimetallic multiply twinned particles by an analytic first-order expansion within a continuum model. The results indicate that while the change in free energy may be small, there will be a noticeable segregation of larger atoms to the external surface and smaller ones to the core, which could have interesting effects when such nanoparticles are used as heterogeneous catalysts.

Keywords: alloy nanoparticles; multiply twinned particles; segregation; strain field; thermodynamic modeling.