CO oxidation catalyzed by silicon carbide (SiC) monolayer: A theoretical study
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- 作者：Nan Wanga ; Yu Tiana ; Jingxiang Zhaoa ; xjz_hmily@163.com" class="auth_mail" title="E-mail the corresponding author ; Peng Jinb ; china.peng.jin@gmail.com" class="auth_mail" title="E-mail the corresponding author
- 关键词：CO oxidation ; SiC nanosheet ; Density functional theory ; Metal&minus ; free catalysts
- 刊名：Journal of Molecular Graphics and Modelling
- 出版年：2016
- 出版时间：May 2016
- 年：2016
- 卷：66
- 期：Complete
- 页码：196-200
- 全文大小：1077 K
文摘
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The potential of SiC monolayer as a CO oxidation catalyst was explored.
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CO oxidation can occur via a three-step mechanism.
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The curvature has a negative effect on the catalytic performance of SiC nanosheet.