Effect of CaO on the selectivity of N2O decomposition products: A combined experimental and DFT study
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- 作者：Lingnan Wua ; b ; wulingnan@126.com" class="auth_mail" title="E-mail the corresponding author ; Xiaoying Hub ; huxy@ncepu.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Wu Qinb ; qinwugx@126.com" class="auth_mail" title="E-mail the corresponding author ; Pan Gaob ; gaopan@ncepu.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Changqing Dongb ; cqdong1@163.com" class="auth_mail" title="E-mail the corresponding author ; Yongping Yanga ; yypncepu@163.com" class="auth_mail" title="E-mail the corresponding author
- 关键词：NO selectivity ; Density functional theory ; CaO (1 0 0) ; N2O decomposition
- 刊名：Surface Science
- 出版年：2016
- 出版时间：September 2016
- 年：2016
- 卷：651
- 期：Complete
- 页码：128-136
- 全文大小：1653 K
文摘
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Calcium oxide decreases the NO selectivity from N2O decomposition compared to N2O homogeneous decomposition.
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N2 has a much higher selectivity from N2O decomposition compared to NO for both homogeneous and CaO-catalyzed N2O decomposition.
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The NO formation on the CaO (1 0 0) surface is likely to proceed via the reaction between a surface adsorbed atomic O and a gaseous N2O molecule.