Home > Seminars > Année 2010 > Séminaire Riccardo Ferrando ( 26 janvier 2010 )
Séminaire Riccardo Ferrando ( 26 janvier 2010 )
Dipartimento di Fisica, Università di Genova
Determining the most favourable structures of nanoparticles is a challenging task.
In fact, depending on their nature and environment, nanoparticles can present an
enormous variety of possible structures, whose number increases exponentially with
size. Here we describe a predictive computational methodology for structure
determination. This methodology relies on the combination of global optimization
searches with ab-initio structural relaxation. Results are presented for both gas-phase binary systems (AgCu, AgNi) and oxide-supported metal clusters (Ag, Au, Ni and PtCo/Mg0(001)). The results are compared to available experimental data.
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