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

Junjie Wang; Litong Zhang; Qingfeng Zeng; Gérard L. Vignoles; Laifei Cheng; Alain Guette

doi:10.1016/j.scriptamat.2010.01.017

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

Junjie Wang, Litong Zhang, Qingfeng Zeng, Gérard L. Vignoles, Laifei Cheng, Alain Guette

School of Materials Sience and Engineering

Research output: Contribution to journal › Article › peer-review

16 Scopus citations

Abstract

Using first-principles density-functional calculations of the total energy, we performed a systematic study of the diffusion activation energies of O₂ and CO in SiO₂ and Si_1-xC_xO₂. Our results suggest that the dense Si_1-xC_xO₂ (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.

Original language	English
Pages (from-to)	654-657
Number of pages	4
Journal	Scripta Materialia
Volume	62
Issue number	9
DOIs	https://doi.org/10.1016/j.scriptamat.2010.01.017
State	Published - May 2010

Keywords

CO
Deal-Grove model
Diffusion
SiC oxidation

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10.1016/j.scriptamat.2010.01.017

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title = "The rate-limiting step in the thermal oxidation of silicon carbide",

abstract = "Using first-principles density-functional calculations of the total energy, we performed a systematic study of the diffusion activation energies of O2 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.",

keywords = "CO, Deal-Grove model, Diffusion, SiC oxidation",

author = "Junjie Wang and Litong Zhang and Qingfeng Zeng and Vignoles, {G{\'e}rard L.} and Laifei Cheng and Alain Guette",

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T1 - The rate-limiting step in the thermal oxidation of silicon carbide

AU - Wang, Junjie

AU - Zhang, Litong

AU - Zeng, Qingfeng

AU - Vignoles, Gérard L.

AU - Cheng, Laifei

AU - Guette, Alain

PY - 2010/5

Y1 - 2010/5

N2 - Using first-principles density-functional calculations of the total energy, we performed a systematic study of the diffusion activation energies of O2 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.

AB - Using first-principles density-functional calculations of the total energy, we performed a systematic study of the diffusion activation energies of O2 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.

KW - CO

KW - Deal-Grove model

KW - Diffusion

KW - SiC oxidation

UR - http://www.scopus.com/inward/record.url?scp=77049124217&partnerID=8YFLogxK

U2 - 10.1016/j.scriptamat.2010.01.017

DO - 10.1016/j.scriptamat.2010.01.017

M3 - 文章

AN - SCOPUS:77049124217

SN - 1359-6462

VL - 62

SP - 654

EP - 657

JO - Scripta Materialia

JF - Scripta Materialia

IS - 9

ER -

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

Abstract

Keywords

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