A theoretical understanding on the CO-tolerance mechanism of the WC(0001) supported Pt monolayer: Some improvement strategies
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- 作者：Xilin Zhanga ; Zhansheng Lua ; b ; Zongxian Yanga ; b ; yzx@henannu.edu.cn" class="auth_mail" title="E-mail the corresponding author ; zongxian.yang@163.com" class="auth_mail" title="E-mail the corresponding author
- 关键词：Tungsten carbides ; Platinum monolayer ; CO tolerance ; Density functional theory
- 刊名：Applied Surface Science
- 出版年：2016
- 出版时间：15 December 2016
- 年：2016
- 卷：389
- 期：Complete
- 页码：455-461
- 全文大小：2221 K
文摘
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The mechanism of CO tolerance and oxidation on PtML/WC(0001) is clarified.
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The high tolerance of PtML/WC(0001) to CO originate from the weak adsorption.
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The minimum energy path and the rate-determining step are identified.
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The activity of PtML/WC(0001) to CO oxidation is comparable to that of Pt(111).
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Some probable strategies are proposed to improve the activity of PtML/WC(0001).