Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials
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Study of internal nanoporous structure and external surface of bimetallic nanoparticles

N.Yu. Sdobnyakov, V.S. Myasnichenko, K.G. Savina, A.Yu. Kolosov, A.D. Veselov, A.N. Bazulev, R.E. Grigoryev, D.N. Sokolov

Tver State University

DOI: 10.26456/pcascnn/2020.12.504

Original article

Abstract: Exemplifying on two bimetallic nanoparticles Cu – Pt and Au – Ag, the internal structure and external surface has been investigated in the process of dealloying. Equiatomic compositions with the total number of atoms Ntot = 3000 are considered. In the dealloying process half of both the copper and silver atoms were removed. The Monte Carlo method within the Metropolis scheme is used as a simulation method. The interatomic interaction was described by the tight-binding potential. As it was expected, the selective corrosion leads to the fact that the surface layer of the particle is enriched with one of the components atoms. However, the particle core retains the structure of the binary nanoalloy. We also found that as a result of the selective corrosion, a defective structure of the nanoparticle is formed. Accordingly, we assume that it is these defects (mainly vacancies) that lead to the porous structure of larger binary nanoparticles observed in experiments on the dealloying. A change in the specific surface area per unit volume or weight affects the adsorption and catalytic properties, as well as the corrosion resistance of bimetallic nanoparticles.

Keywords: dealloying phenomenon, binary metal nanoparticles, Monte-Carlo method, defect, porosity, nanoalloys

  • Nickolay Yu. Sdobnyakov – Ph. D., Docent of the General Physics Department, Tver State University
  • Vladimir S. Myasnichenko – Researcher of the General Physics Department, Tver State University
  • Ksenia G. Savina – 4th year student, General Physics Department, Tver State University
  • Andrey Yu. Kolosov – Researcher of the General Physics Department, Tver State University
  • Alexei D. Veselov – postgraduate student, General Physics Department, Tver State University
  • Anatolii N. Bazulev – Ph. D., Docent of General Physics Department, Tver State University
  • Roman E. Grigoryev – 1st year graduate student, General Physics Department, Tver State University
  • Denis N. Sokolov – Ph. D., Researcher, Tver State University

Reference:

Sdobnyakov, N.Yu. Study of internal nanoporous structure and external surface of bimetallic nanoparticles / N.Yu. Sdobnyakov, V.S. Myasnichenko, K.G. Savina, A.Yu. Kolosov, A.D. Veselov, A.N. Bazulev, R.E. Grigoryev, D.N. Sokolov // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials. – Tver: TSU, 2020. — I. 12. — P. 504-515. DOI: 10.26456/pcascnn/2020.12.504. (In Russian).

Full article (in Russian): download PDF file

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