Influence of CO Poisoning on Hydrogen Chemisorption onto a Pt6 Cluster
文献类型：期刊论文
| 作者 | Chen L ; Chen B ; Zhou CG ; Wu JP ; Robert C. Forrey ; Cheng HS |
| 刊名 | J. Phys. Chem. C
 |
| 出版日期 | 2008 |
| 期号 | 112页码:13937–13942 |
| 合作状况 | 国际 |
| 中文摘要 | We present a systematic study on the reactivity of a Pt6 cluster toward H2 dissociative chemisorption in the presence of CO molecules using density functional theory (DFT). The sequential adsorption and threshold desorption energies of H at varying CO coverage were identified. It was found that the main influence of CO molecules is to block the available active surface sites for H2 dissociative chemisorption. In addition, our population and density of states analysis indicate that the poisoning effect is partially due to the loss of Pt(5d) electrons upon CO adsorption. The hydrogenation of CO is found to be endothermic. |
| 收录类别 | SCI |
| 语种 | 中文 |
| 公开日期 | 2009-12-17 |
| 源URL | [http://ir.nimte.ac.cn/handle/174433/57]  |
| 专题 | 宁波材料技术与工程研究所_宁波所知识产出 |
| 推荐引用方式 GB/T 7714 | Chen L,Chen B,Zhou CG,et al. Influence of CO Poisoning on Hydrogen Chemisorption onto a Pt6 Cluster[J]. J. Phys. Chem. C,2008(112):13937–13942. |
| APA | Chen L,Chen B,Zhou CG,Wu JP,Robert C. Forrey,&Cheng HS.(2008).Influence of CO Poisoning on Hydrogen Chemisorption onto a Pt6 Cluster.J. Phys. Chem. C(112),13937–13942. |
| MLA | Chen L,et al."Influence of CO Poisoning on Hydrogen Chemisorption onto a Pt6 Cluster".J. Phys. Chem. C .112(2008):13937–13942. |
入库方式： OAI收割
来源：宁波材料技术与工程研究所
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