Hydrogen dissociative chemisorption and desorption on saturated subnano palladium clusters (Pdn, n = 2–9)
文献类型：期刊论文
| 作者 | Zhou CG ; Yao SJ ; Wu JP ; Robert C. Forrey ; Chen L ; Akitomo Tachibanad ; Cheng HS |
| 刊名 | Physical Chemistry Chemical Physics
 |
| 出版日期 | 2008 |
| 卷号 | 10期号:35页码:5321–5476 |
| 合作状况 | 国际 |
| 中文摘要 | H2 sequential dissociative chemisorption on small palladium clusters was studied using density functional theory. The chosen clusters Pdn (n = 2–9) are of the lowest energy structures for each n. H2 dissociative chemisorption and subsequent H atom migration on the bare Pd clusters were found to be nearly barrierless. The dissociative chemisorption energy of H2 and the desorption energy of H atom in general decrease with the coverage of H atoms and thus the catalytic efficiency decreases as the H loading increases. These energies at full cluster saturation were identified and found to vary in small energy ranges regardless of cluster size. As H loading increases, the clusters gradually change their bonding from metallic character to covalent character. For the selected Pd clusters, the capacity to adsorb H atoms increases almost proportionally with cluster size; however, it was found that the capacity of Pd clusters to adsorb H atoms is, on average, substantially smaller than that of small Pt clusters, suggesting that the catalytic efficiency of Pt nanoparticles is superior to Pd nanoparticles in catalyzing dissociative chemisorption of H2 molecules. |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2009-12-21 |
| 源URL | [http://ir.nimte.ac.cn/handle/174433/83]  |
| 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 | Zhou CG,Yao SJ,Wu JP,et al. Hydrogen dissociative chemisorption and desorption on saturated subnano palladium clusters (Pdn, n = 2–9)[J]. Physical Chemistry Chemical Physics,2008,10(35):5321–5476. |
| APA | Zhou CG.,Yao SJ.,Wu JP.,Robert C. Forrey.,Chen L.,...&Cheng HS.(2008).Hydrogen dissociative chemisorption and desorption on saturated subnano palladium clusters (Pdn, n = 2–9).Physical Chemistry Chemical Physics,10(35),5321–5476. |
| MLA | Zhou CG,et al."Hydrogen dissociative chemisorption and desorption on saturated subnano palladium clusters (Pdn, n = 2–9)".Physical Chemistry Chemical Physics 10.35(2008):5321–5476. |
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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