Thermodynamic considerations and computer simulations on the formation of core-shell nanoparticles under electrochemical conditions

O. A. OVIEDO; E. P. M. LEIVA; M. M. MARISCAL

RCS Editions

Lugar: London; Año: 2008 vol. 10 p. 3561 - 3561

font face="AdvTimes" size="1"> We report on thermodynamic modeling and computer simulations on the electrochemical generation of metallic and bimetallic nanoparticles (NPs) by means of quenched molecular dynamics (QMD). The present results suggest that the spontaneous formation of core-shell NPs depends on several factors, i.e. size and shape of the core, chemical composition of the system, and under-/oversaturation conditions. Homo- and heteroatomic prototypical systems were considered. The former systems were Au and Pt. The latter were Ag(core)/Au(shell), Pt(core)/Au(shell), Au(core)/Ag(shell) and Au(core)/Pt(shell). and under-/oversaturation conditions. Homo- and heteroatomic prototypical systems were considered. The former systems wer