Nano Archive

Zirconia nanoparticles and nanostructured systems

Zavodinsky, V G and Chibisov, A N (2006) Zirconia nanoparticles and nanostructured systems. Journal of Physics: Conference Series, 29 . pp. 173-176.

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Stability of rhombic (tetragonal-like) and cubic-like zirconia nanoparticles is investigated using the density functional pseudopotential method in a general gradient approximation. The binding energy (Eb) increases with increasing of rhombic particles, but the cubic-like particle is more favorable than rhombic ones. All studied nanoparticles have nonzero energy distances (DE) between occupied and non-occupied states. A simple model of nanostructured zirconia has been constructed using a Zr16O32 cluster as a unit element for a three dimensional superlattice with cubic symmetry. This work was supported by the Russian Foundation of Basic Researches, the grant # 04-02-9700.

Item Type:Article
ID Code:5430
Deposited By:Prof. Alexey Ivanov
Deposited On:06 Feb 2010 11:11
Last Modified:06 Feb 2010 11:53

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