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Theoretical study of adsorption site and state for hydrogen atom on Pd(311)
Han, LL; Diao, ZY; Wang, ZX; Zhang, XM
2004-12-30
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY B
ISSN1520-6106
Volume108Issue:52Pages:20160-20163
AbstractThe 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.
DOI10.1021/jp047909e
Indexed BySCI
Language英语
WOS IDWOS:000225925100039
PublisherAMER CHEMICAL SOC
Citation statistics
Cited Times:13[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.iccas.ac.cn/handle/121111/82416
Collection中国科学院化学研究所
Corresponding AuthorWang, ZX
Affiliation1.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
Recommended Citation
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.
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