%0 Journal Article %T MULTIPLE-SCATTERING DETERMINATION TO THE LOCAL ADSORPTION GEOMETRY OF SO2/Pd(111)
MULTIPLE-SCATTERING DETERMINATION TO THE LOCAL ADSORPTION GEOMETRY OF SO_2/Pd(111) %A SCao %A JCTang %A PZhu %A LWang %A SLShen %A
S. Cao %A J.C. Tang %A P. Zhu %A L. Wang %A S.L %A Shen %J 金属学报(英文版) %D 2002 %I %X We have calculated the sulphur Is near edge. X-ray absorption fine structure. (NEX-AFS) spectra of SO2 adsorbed on Pd(111) in terms of the multiple-scattering Cluster (MSC) method. The origin of the resonances in the NEXAFS spectra has been re-vealed. By the MSC calculation and a (DV)-Xa study we have for the first time iden-tified two weak features existing m S K-edge NEXAFS of SO2/Pd(111) system, which are attributed to the interaction between the adsorbate and the substrate. Moreover, MSC calculation together with the reliability factor (R-factor) analysis are employed to determine the local adsorption structures. These results are broadly in agreement with those of Fourier-transform analysis of the surface extended X-ray absorption fine structure (SEXAFS). %K multiple-scattering %K cluster %K near edge X-ray %K absorption fine structure %K SO2/Pd(111) %K DV-Xa method
SO2 %K /Pd(111). %K D %K V-Xα %K method %U http://www.alljournals.cn/get_abstract_url.aspx?pcid=5B3AB970F71A803DEACDC0559115BFCF0A068CD97DD29835&cid=AB188D3B70B071C57EB64E395D864ECE&jid=C19B08D052F5FD8445F4BB80A1A5D7BF&aid=35546A9792ED05961B88FFC91A113CD8&yid=C3ACC247184A22C1&vid=23CCDDCD68FFCC2F&iid=CA4FD0336C81A37A&sid=35FC3610259C2B32&eid=7AA74D31F1FF2DCE&journal_id=1006-7191&journal_name=金属学报(英文版)&referenced_num=0&reference_num=12