Theoretical study of adsorption site and state for hydrogen atom on Pd(311)
文献类型：期刊论文
| 作者 | Han, LL; Diao, ZY; Wang, ZX; Zhang, XM |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY B
 |
| 出版日期 | 2004-12-30 |
| 卷号 | 108期号:52页码:20160-20163 |
| ISSN号 | 1520-6106 |
| DOI | 10.1021/jp047909e |
| 英文摘要 | The adsorption of hydrogen atom on open, rough Pd(311) stepped surface is investigated by the five-parameter Morse potential (5-MP) method in detail. Calculated results demonstrate that the frequency of 62.37 meV (56 meV in a HREELS experiment) is attributed to the vibration parallel to the fcc-like 3-fold site along the [2 (3) over bar(3) over bar] direction. The other calculated results are in good accord with HREELS experiments. Meanwhile, we also obtain the critical characteristics of the subsurface adsorption sites. |
| 语种 | 英语 |
| WOS记录号 | WOS:000225925100039 |
| 出版者 | AMER CHEMICAL SOC |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/82415]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Wang, ZX |
| 作者单位 | 1.Shandong Normal Univ, Dept Chem, Shandong 250014, Peoples R China 2.Chinese Acad Sci, Key Lab Colloid & Interface Sci, Inst Chem, Beijing 100000, Peoples R China |
| 推荐引用方式 GB/T 7714 | Han, LL,Diao, ZY,Wang, ZX,et al. Theoretical study of adsorption site and state for hydrogen atom on Pd(311)[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2004,108(52):20160-20163. |
| APA | Han, LL,Diao, ZY,Wang, ZX,&Zhang, XM.(2004).Theoretical study of adsorption site and state for hydrogen atom on Pd(311).JOURNAL OF PHYSICAL CHEMISTRY B,108(52),20160-20163. |
| MLA | Han, LL,et al."Theoretical study of adsorption site and state for hydrogen atom on Pd(311)".JOURNAL OF PHYSICAL CHEMISTRY B 108.52(2004):20160-20163. |
入库方式： OAI收割
来源：化学研究所
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