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Solution Mechanisms for Dopant Oxides in Yttria
Author(s) -
Busker Gerdjan,
Chroneos Alex,
Grimes Robin W.,
Chen IWei
Publication year - 1999
Publication title -
journal of the american ceramic society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.9
H-Index - 196
eISSN - 1551-2916
pISSN - 0002-7820
DOI - 10.1111/j.1151-2916.1999.tb01954.x
Subject(s) - dopant , yttria stabilized zirconia , impurity , cluster (spacecraft) , ion , radius , materials science , enthalpy , standard enthalpy change of formation , critical radius , inorganic chemistry , chemical physics , doping , thermodynamics , chemistry , ceramic , physics , geometry , metallurgy , cubic zirconia , computer science , mathematics , computer security , optoelectronics , organic chemistry , curvature , programming language
Solution mechanisms in Y 2 O 3 have been studied by using atomistic simulation. Various defect reactions for the solution of A 2+ , M 3+ , and B 4+ ions, assuming either single isolated impurities or defect clusters, have been considered. Generally, the radius of the dopant cation is an important factor in determining the solution site and cluster geometry, and it can be critical in deciding the solution mechanism. Mechanisms that are associated with codoping A 2+ and B 4+ ions also have been considered. Surprisingly, this action does not always result in a reduction in the solution enthalpy.