Possible reasons that catalytic reactivity towards low-temperature CO oxidation has not been found in Au3∿/sup> cluster
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- 作者：Zhi-Yin Wang ; wangzy@snut.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Tian-Lei Zhang ztianlei88@163.com" class="auth_mail" title="E-mail the corresponding author ; Qiu-Hui Li 13474490301@163.com" class="auth_mail" title="E-mail the corresponding author ; Qi Xue nainomi@163.com" class="auth_mail" title="E-mail the corresponding author Xueq@snut.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Rui Wang wangrui830413@163.com" class="auth_mail" title="E-mail the corresponding author
- 关键词：CO oxidation ; Gold clusters ; Ab initio ; Density Functional Theory (DFT) ; Reaction pathway analysis
- 刊名：Computational and Theoretical Chemistry
- 出版年：2016
- 出版时间：1 June 2016
- 年：2016
- 卷：1085
- 期：Complete
- 页码：75-81
- 全文大小：984 K
文摘
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CO oxidation over the Au3− is a slow reaction (Au3COO2− → Au3O− + CO2) at low-temperature.
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The oxidation of another CO on Au3O− proceed by the ER mechanism is a fast reaction.
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Low concentration Au3COO2− makes the Au3− have no activity for CO oxidation.