Shell model of inorganic nanoparticles

Autor: A. Yu. Tsivadze, Galina V. Ionova, I. S. Ionova, V. K. Mikhalko
Rok vydání: 2009
Předmět:
Zdroj: Russian Journal of Inorganic Chemistry. 54:2054-2067
ISSN: 1531-8613
0036-0236
DOI: 10.1134/s0036023609130026
Popis: We describe the theoretical study of chemical and physical properties of inorganic nanoparticles consisting of 3d, 4d and 5d atoms in the frame of shell model. The important ingredient of our study is the size dependent evolution of electronic properties of shells depending on the electron structure of atoms. The various properties of nanoparticles have been considered-ionization potentials and electron affinity, electrochemical, magnetic, structural properties and equilibrium volumes, electric conductance, melting points, cohesive energies and compressibility. Finally, we study the phase transitions in nanoparticles: insulator-metal, magnetnon-magnet.
Databáze: OpenAIRE
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