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Structural Characterization of AION by27 Al Mas NMR and Quantum Chemistry Method

Published online by Cambridge University Press:  15 February 2011

Ying Dai ,
Xin-Min Min ,
Ce-Wen Nan ,
Xin-Mei Pei  and
Hai-Lan Ren
Ying Dai
Affiliation:
National Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan, Hubei 430070, P. R., China
Xin-Min Min
Affiliation:
National Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan, Hubei 430070, P. R., China
Ce-Wen Nan
Affiliation:
National Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan, Hubei 430070, P. R., China
Xin-Mei Pei
Affiliation:
National Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan, Hubei 430070, P. R., China
Hai-Lan Ren
Affiliation:
National Key Laboratory of Advanced Technology for Materials Synthesis and Processing, Wuhan University of Technology, Wuhan, Hubei 430070, P. R., China
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Abstract

Aluminum oxynitride (AlON) is a nitrogen-stabilized defective spinel phase of alumina (y-Al2O3). Its structure has not been well understood so far. Solid-state27 Al magic-angle spinning nuclear magnetic resonance and quantum chemistry calculation are used to characterize y-Al2O3 and AMON ceramics in the present study. The resonance spectra clearly show different units (e.g. [AlN4], [AlO4] and [AlO6]) and vary with composition. The calculation shows that the vacancy located at octahedral site is more stable than that located at the tetrahedral site, and nitrogen atoms preferentially replace oxygen atoms in the tetrahedral site, which is in agreement with the experimental analysis by nuclear magnetic resonance.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 538: Symposium J – Multiscale Modelling of Materials , 1998 , 573
Copyright
Copyright © Materials Research Society 1999

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