The adsorption, vibration and diffusion of hydrogen atoms on platinum low-index surfaces
文献类型：期刊论文
| 作者 | Yu, Yanjie1,2; Yang, Jin1; Hao, Ce1,3; Zhao, Xuefei1,2; Wang, Zexin4 |
| 刊名 | Journal of computational and theoretical nanoscience
 |
| 出版日期 | 2009-02-01 |
| 卷号 | 6期号:2页码:439-448 |
| 关键词 | 5-mp H-pt system Low-index surfaces Missing-row reconstruction Adsorption Vibration Subsurface adsorption |
| ISSN号 | 1546-1955 |
| DOI | 10.1166/jctn.2009.1054 |
| 通讯作者 | Hao, ce() |
| 英文摘要 | The adsorption, vibration and diffusion of h atoms on pt(100), pt(110) and pt(111) surfaces were studied using the 5-parameter morse potential (5-mp) of interaction between an adatom and a metal surface cluster. our theoretical calculations provide information about adsorption sites, adsorption geometry, binding energy, and eigenvibration. our results agree very well with the experimental and theoretical results. four major results follow. first, our theoretical calculations show that on the pt(100) surface the 4-fold hollow site is the only adsorption site. second, on the pt(110) surface, the pseudo-3-fold hollow h(3) and long bridge sites lb are the most stable sites at low coverage, which produce the perpendicular vibration frequency of 111 mev and 85 mev, respectively. while with increasing coverage, the h atoms are adsorbed not only on the h(3) and lb sites but also on the short bridge sites (sb). third, on the pt(110)-(1 x 2) missing-row reconstruction system, at low coverage, long bridge sites (lb), short bridge sites (sb), the three pseudo 3-fold hollow sites h(3a), h(3b), and h(3c) on the microfacets (111) and the subsurface sites bs are all the stable hydrogen adsorption sites. last, as for the pt(111) surface, the h atom will be located on the 3-fold hollow site at low coverage and produce the perpendicular vibration frequency of 111 mev at high coverage, the subsurface adsorption site hs is the most stable site and produces the perpendicular vibration frequency of 157 mev. |
| WOS关键词 | ENERGY RECOIL SCATTERING ; NEUTRON-SCATTERING ; PT(110) SURFACE ; WORK FUNCTION ; O ATOM ; CHEMISORPTION ; SITE ; DISSOCIATION ; SUBSURFACE ; ABSORPTION |
| WOS研究方向 | Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics |
| WOS类目 | Chemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied ; Physics, Condensed Matter |
| 语种 | 英语 |
| WOS记录号 | WOS:000263612100022 |
| 出版者 | AMER SCIENTIFIC PUBLISHERS |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2374118 |
| 专题 | 计算机网络信息中心 |
| 通讯作者 | Hao, Ce |
| 作者单位 | 1.Dalian Univ Technol, State Key Lab Fine Chem, Dalian 116024, Peoples R China 2.Laoning Univ Sci & Technol, Dept Appl Chem, Anshan 114002, Peoples R China 3.Chinese Acad Sci, CNIC, Virtual Lab Computat Chem, Beijing 100000, Peoples R China 4.Shandong Normal Univ, Dept Chem, Jinan 250014, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yu, Yanjie,Yang, Jin,Hao, Ce,et al. The adsorption, vibration and diffusion of hydrogen atoms on platinum low-index surfaces[J]. Journal of computational and theoretical nanoscience,2009,6(2):439-448. |
| APA | Yu, Yanjie,Yang, Jin,Hao, Ce,Zhao, Xuefei,&Wang, Zexin.(2009).The adsorption, vibration and diffusion of hydrogen atoms on platinum low-index surfaces.Journal of computational and theoretical nanoscience,6(2),439-448. |
| MLA | Yu, Yanjie,et al."The adsorption, vibration and diffusion of hydrogen atoms on platinum low-index surfaces".Journal of computational and theoretical nanoscience 6.2(2009):439-448. |
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