| 银团簇上吸附氧原子与氢气作用的研究 |
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| 引用本文： | 曹西子,殷保祺,王亭亭,邢小鹏.银团簇上吸附氧原子与氢气作用的研究[J].化学物理学报,2017,30(6):685-690. |
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| 作者姓名： | 曹西子 殷保祺 王亭亭 邢小鹏 |
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| 作者单位： | 同济大学化学科学与工程学院, 上海市化学品分析、风险评估与控制重点实验室, 上海 200092,同济大学化学科学与工程学院, 上海市化学品分析、风险评估与控制重点实验室, 上海 200092,同济大学化学科学与工程学院, 上海市化学品分析、风险评估与控制重点实验室, 上海 200092,同济大学化学科学与工程学院, 上海市化学品分析、风险评估与控制重点实验室, 上海 200092 |
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| 基金项目： | This work was supported by the National Natural Science Foundation of China (No.21273278 and No.21673158), the Ministry of Science and Technology of China (No.2012YQ22011307), and Science & Technology Commission of Shanghai Municipality (14DZ2261100). |
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| 摘 要： |
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| 收稿时间： | 2017/10/23 0:00:00 |
| 修稿时间： | 2017/12/4 0:00:00 |
Exploring the Interactions of Atomic Oxygen on Silver Clusters with Hydrogen |
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| Xi-zi Cao,Bao-qi Yin,Ting-ting Wang and Xiao-peng Xing.Exploring the Interactions of Atomic Oxygen on Silver Clusters with Hydrogen[J].Chinese Journal of Chemical Physics,2017,30(6):685-690. |
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| Authors: | Xi-zi Cao Bao-qi Yin Ting-ting Wang and Xiao-peng Xing |
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| Institution: | School of Chemical Science and Engineering, Shanghai Key Laboratory of Chemical Assessment and Sustainability, Tongji University, Shanghai 200092, China,School of Chemical Science and Engineering, Shanghai Key Laboratory of Chemical Assessment and Sustainability, Tongji University, Shanghai 200092, China,School of Chemical Science and Engineering, Shanghai Key Laboratory of Chemical Assessment and Sustainability, Tongji University, Shanghai 200092, China and School of Chemical Science and Engineering, Shanghai Key Laboratory of Chemical Assessment and Sustainability, Tongji University, Shanghai 200092, China |
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| Abstract: | The interactions between AgnO-(n=1-8) and H2 (or D2) were explored by combination of the mass spectroscopy experiments and density function theory (DFT) calculations. The experiments found that all oxygen atoms in AgnO-(n=1-8) are inert in the interactions with H2 or D2 at the low temperature of 150 K, which is in contrast to their high reactivity with CO under the same condition. These observations are parallel with the preferential oxidation (PROX) of CO in excess hydrogen catalyzed by dispersed silver species in the condensed phase. Possible reaction paths between AgnO-(n=1-8) and H2 were explored using DFT calculations. The results indicated that adsorption of H2 on any site of AgnO-(n=1-8) is extremely weak, and oxidation of H2 by any kind of oxygen in AgnO-(n=1-8) has an apparent barrier strongly dependent on the adsorption style of the "O". These experiments and theoretical results about cluster reactions provided molecule-level insights into the activity of atomic oxygen on real silver catalysts. |
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| Keywords: | Silver clusters Atomic oxygen Hydrogen Mass spectroscopy Density function theory calculations |
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