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Reduced Activation Energy and Crystalline Size for Yttria-stabilized Zirconia Nano-crystals:: an Experimental and Theoretical Study by Shou-Gang Chen; Yan-Sheng Yin; Dao-Ping Wang; Jia Li is a Engineering article available to read on EtoBox.

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Pure and 2 mol% yttria-doped zirconia nano-powders were synthesized via the precipitation method, using ZrOCl 2 Á 8H 2 O with fixed concentration of 0.1 M [Zr 4+ ] as the starting material. The very lower activation energy (B34.029 kJ/mol) related to the bulk counterpart is observed for the grain growth in nano-2YSZ powders within the calcination temperature range of 600-1000 C. Experimental results show that two factors were contributed to the lower activation energy of grain growth. Firstly, the introduction of oxygen vacancies in nano-2YSZ grain surface reduces the activation energy of the formation of necks between grains. Secondly, the rotation process between coherent grains has very lower activation energy or even a zero-kinetic barrier. Moreover, several models of zirconium and yttrium complexes were applied to simulate the structural monomers and the condensation productions of aqueous precursor solution using the density functional theory (DFT/B3LYP). Theoretical results show that the condensation reaction between [Zr(OH) 6 ] 2À and [Zr(OH) 6 ] 2À will preferentially occur along the apical directions while the condensation reaction between [Zr(OH) 6 ] 2À and [Y(OH) 6 ] 3À

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Author

Shou-Gang Chen; Yan-Sheng Yin; Dao-Ping Wang; Jia Li

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0022-0248)

Published

2004

Language

EN

Field

Engineering (Physical Sciences)