Structural characterization of AlON by 27Al MAS NMR and quantum chemistry method

被引：0
|
作者：
Dai, Y [1 ]
Min, XM [1 ]
Nan, CW [1 ]
Pei, XM [1 ]
Ren, HL [1 ]
机构：
[1] Wuhan Univ Technol, Natl Key Lab Adv Technol Mat Synth & Proc, Wuhan 430070, Hubei, Peoples R China
来源：
MULTISCALE MODELLING OF MATERIALS | 1999年 / 538卷
关键词：
D O I：
暂无
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Aluminum oxynitride (AlON) is a nitrogen-stabilized defective spinel phase of alumina (gamma-Al2O3) Its structure has not been well understood so far. Solid-state Al-27 magic-angle spinning nuclear magnetic resonance and quantum chemistry calculation are used to characterize gamma-Al2O3 and AlON 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.
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页码：573 / 578
页数：6
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