Surface segregation in binary metallic nanoparticles: atomistic and thermodynamic simulations

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Abstract

The results of molecular dynamics and atomistic simulations demonstrate segregation of Pd atoms to the surface of binary Pt-Pd nanoparticles and the surface segregation of Cr in Ni-Cr nanoparticles. At the same time, molecular dynamics results predict a transition from the surface segregation of Cr to the surface segregation of Ni at low Cr contents in Ni-Cr nanoparticles.

About the authors

V. M. Samsonov

Tver State University

Author for correspondence.
Email: samsonoff@inbox.ru
Russian Federation, Tver, 170100

A. A. Romanov

Tver State University

Email: samsonoff@inbox.ru
Russian Federation, Tver, 170100

I. V. Talyzin

Tver State University

Email: samsonoff@inbox.ru
Russian Federation, Tver, 170100

D. V. Zhigunov

Tver State University

Email: samsonoff@inbox.ru
Russian Federation, Tver, 170100

V. V. Puitov

Tver State University

Email: samsonoff@inbox.ru
Russian Federation, Tver, 170100

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