The rate-limiting step in the thermal oxidation of silicon carbide

被引：19

作者：

Wang, Junjie ^{[1
]}

Zhang, Litong ^{[1
]}

Zeng, Qingfeng ^{[1
]}

Vignoles, Gerard L. ^{[2
]}

Cheng, Laifei ^{[1
]}

Guette, Alain ^{[2
]}

机构：

[1] NW Polytech Univ, Natl Key Lab Thermostruct Composite Mat, Xian 710072, Peoples R China

[2] Univ Bordeaux 1, CNRS, CEA Snecma, Lab Thermostruct Composites,UMR 5801, F-33600 Pessac, France

来源：

SCRIPTA MATERIALIA | 2010年 / 62卷 / 09期

关键词：

SiC oxidation; O-2; CO; Diffusion; Deal-Grove model; MOLECULES; OXIDE; TRANSITION; SURFACES;

D O I：

10.1016/j.scriptamat.2010.01.017

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Using first-principles density-functional calculations of the total energy, we performed a systematic study of the diffusion activation energies of O-2 and CO in SiO2 and Si1-xCxO2. Our results suggest that the dense Si1-xCxO2 (e.g., Si2CO6) layer may play a critical role in the SiC thermal oxidation process. The out-diffusion of CO through SiO2 or Si2CO6 is the controlling step of the SiC thermal oxidation. Known experimental data are explained well by our results. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

引用

页码：654 / 657

页数：4

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