Surface segregation in binary metallic nanoparticles: atomistic and thermodynamic simulations
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.
Authors
- I. V. Talyzin (ORCID: https://orcid.org/0000-0002-5798-7163)
- Dmitriy Zhigunov (ORCID: https://orcid.org/0000-0002-9196-6147)
- A. A. Romanov
- V. M. Samsonov (ORCID: https://orcid.org/0000-0003-2929-8069)
- В. В. Пуйтов
Institutions
- Tver State University (RU)
Publication Details
- Journal
- Известия Российской академии наук Серия физическая
- Published
- 2024-12-23
- DOI
- https://doi.org/10.31857/s0367676524050125
- Primary Topic
- nanoparticles nucleation surface interactions
- Type
- article
- Field-Weighted Citation Impact
- 0.00