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O. B. MEL’NYK, A. B. SHEVCHENKO, and Yu. A. KUNITSKY
«Accumulation of Electric Charge by Aluminium Clusters»
PACS numbers: 02.70.Ns, 36.40.Cg, 36.40.Qv, 36.40.Wa, 61.46.Bc, 61.50.Lt, 71.15.Nc
Formalism for the estimation of stability of charged metallic nanoparticles is developed. A procedure is based on investigation of balance of cohesion energy and Coulomb energy of clusters. Cohesion energy is determined by the molecular dynamics method using pair potentials of interatomic interaction. These potentials are obtained on the basis of the first-principles quantum-mechanical calculations. Stability of the charged aluminium particles is studied within the scope of the developed approach. The numbers of atoms within the charged equilibrium clusters are obtained as a function of a specific charge on them.